CAS No.: 5355-16-8 — Diaveridine (5-(3,4-二甲氧苄基)-2,4-嘧啶二胺)

1. Primary Information

English name:	Diaveridine
CAS No.:	5355-16-8
Molecular formula:	C₁₃H₁₆N₄O₂
Molecular weight:	260.29 g/mol
SMILES:	COC1=C(C=C(C=C1)CC2=CN=C(N=C2N)N)OC
Structural class:
Other identifiers:	2,4-diamino-5-(3,4-dimethoxybenzyl)pyrimidine diaveridine diaveridine monohydrochloride EGIS-5645

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	5mg	HPLC≥98%	128	2-8℃	in stock	-
Kehua Intelligence	1g	98%	128	2-8℃	in stock	-
Kehua Intelligence	5g	98%	384	2-8℃	in stock	-
Kehua Intelligence	25g	98%	1184	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 35 36 0 0 0 0 0 0 0999 V2000 -2.3150 2.1682 -0.2343 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3699 0.3598 -0.7179 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4721 0.8432 0.2713 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3825 -0.9665 -1.3176 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9071 0.9501 2.0498 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0092 0.7150 -1.4967 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6213 -1.4657 1.1793 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6962 -0.9799 0.6774 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8129 -0.8535 0.4707 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8979 0.3818 0.4519 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7274 -1.8873 0.4343 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1306 0.8360 -0.0167 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1617 -0.0713 -0.2598 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9602 -1.4330 -0.0341 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4111 0.2952 0.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3242 -1.4590 -0.6409 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8998 0.1704 -0.8141 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2109 3.0285 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3702 -0.6321 -0.9407 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6748 -1.3281 2.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6881 -2.5557 1.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0945 1.0692 0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5850 -2.9508 0.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7145 -2.1943 -0.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9073 -2.3734 -1.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5358 0.3965 2.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3738 1.8127 2.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 2.8137 -0.6142 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 3.0166 1.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5348 4.0489 -0.1919 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6516 -1.1376 -0.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0726 -1.3365 -1.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2638 -0.1129 -1.3026 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4320 1.5678 -1.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 0.2463 -2.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 18 1 0 0 0 0 2 13 1 0 0 0 0 2 19 1 0 0 0 0 3 15 2 0 0 0 0 3 17 1 0 0 0 0 4 16 1 0 0 0 0 4 17 2 0 0 0 0 5 15 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 17 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 15 1 0 0 0 0 9 16 2 0 0 0 0 10 12 1 0 0 0 0 10 22 1 0 0 0 0 11 14 2 0 0 0 0 11 23 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 24 1 0 0 0 0 16 25 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

5-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine

4.2 InChI

InChI=1S/C13H16N4O2/c1-18-10-4-3-8(6-11(10)19-2)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17)

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)

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)