CAS No.: 935666-88-9 — (S)-5-chloro-N2-(1-(5-fluoropyrimidin-2-yl)ethyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (AZD1480)

1. Primary Information

English name:	(S)-5-chloro-N2-(1-(5-fluoropyrimidin-2-yl)ethyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CAS No.:	935666-88-9
Molecular formula:	C₁₄H₁₄ClFN₈
Molecular weight:	348.76 g/mol
SMILES:	CC1=CC(=NN1)NC2=NC(=NC=C2Cl)NC(C)C3=NC=C(C=N3)F
Structural class:
Other identifiers:	5-chloro-N2-(1-(5-fluoropyrimidin-2-yl)ethyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine AZD 1480 AZD-1480 AZD1480

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	5mg	99%	544	-20℃	in stock	-
Kehua Intelligence	10mg	99%	960	-20℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 38 40 0 1 0 0 0 0 0999 V2000 -3.4937 -3.1090 -1.6150 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7497 2.7102 -2.2592 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5428 -2.1062 1.0142 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6010 -0.4795 -0.4088 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5018 -1.2864 0.3200 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6984 1.2846 0.3683 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5210 -0.2124 -0.1260 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1348 -3.5767 -0.0762 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8436 2.8079 0.9265 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5650 1.5184 0.6700 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9119 -0.7944 1.5778 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9312 -1.0282 2.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4090 0.1536 0.5397 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3431 -2.3325 0.3953 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6724 -1.5437 -0.2994 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5619 0.8595 0.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0649 2.9631 0.4085 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5623 1.7820 -0.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0070 -2.7746 -0.8259 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0554 -3.7636 -0.6834 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7360 4.2797 0.4926 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1761 2.1192 -0.5782 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9426 0.6681 -1.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 1.8608 -1.3295 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0322 -0.3571 2.0698 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2180 -2.8613 1.0375 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8458 -1.5024 2.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5108 -1.6838 3.4786 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2133 -0.0809 3.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4499 -0.7748 -0.8894 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5253 1.6718 -0.6523 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1886 3.4153 1.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2162 -4.7687 -1.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8690 4.5806 1.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1455 5.0487 -0.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7248 4.2513 0.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6072 3.0316 -0.7214 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8379 0.3789 -1.5971 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 24 1 0 0 0 0 3 11 1 0 0 0 0 3 14 1 0 0 0 0 3 26 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 4 30 1 0 0 0 0 5 14 1 0 0 0 0 5 15 2 0 0 0 0 6 13 1 0 0 0 0 6 22 2 0 0 0 0 7 13 2 0 0 0 0 7 23 1 0 0 0 0 8 14 2 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 9 32 1 0 0 0 0 10 16 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 25 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 15 19 1 0 0 0 0 16 18 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 31 1 0 0 0 0 19 20 2 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 24 1 0 0 0 0 22 37 1 0 0 0 0 23 24 2 0 0 0 0 23 38 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

5-chloro-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

4.2 InChI

InChI=1S/C14H14ClFN8/c1-7-3-11(24-23-7)21-13-10(15)6-19-14(22-13)20-8(2)12-17-4-9(16)5-18-12/h3-6,8H,1-2H3,(H3,19,20,21,22,23,24)/t8-/m0/s1

4.3 InChIKey

PDOQBOJDRPLBQU-QMMMGPOBSA-N

4.4 Canonical SMILES

CC1=CC(=NN1)NC2=NC(=NC=C2Cl)NC(C)C3=NC=C(C=N3)F

4.5 Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)