2-methoxy-N-[6-[(3-methoxyphenyl)methylamino]-7H-purin-2-yl]benzamide

C21H20N6O3 — CID 155559738

IUPAC2-methoxy-N-[6-[(3-methoxyphenyl)methylamino]-7H-purin-2-yl]benzamide
SMILESCOc1cccc(CNc2nc(NC(=O)c3ccccc3OC)nc3nc[nH]c23)c1
InChIInChI=1S/C21H20N6O3/c1-29-14-7-5-6-13(10-14)11-22-18-17-19(24-12-23-17)26-21(25-18)27-20(28)15-8-3-4-9-16(15)30-2/h3-10,12H,11H2,1-2H3,(H3,22,23,24,25,26,27,28)
InChIKeyZKXJPIDKKJQYDW-UHFFFAOYSA-N
MW404.43 g/mol
LogP3.23
Rot. Bonds7

About 2-methoxy-N-[6-[(3-methoxyphenyl)methylamino]-7H-purin-2-yl]benzamide

2-methoxy-N-[6-[(3-methoxyphenyl)methylamino]-7H-purin-2-yl]benzamide (PubChem CID 155559738) has the molecular formula C21H20N6O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is 2-methoxy-N-[6-[(3-methoxyphenyl)methylamino]-7H-purin-2-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[6-[(3-methoxyphenyl)methylamino]-7H-purin-2-yl]benzamide
PubChem CID155559738
Molecular FormulaC21H20N6O3
Molecular Weight404.43 g/mol
Exact Mass404.16
IUPAC Name2-methoxy-N-[6-[(3-methoxyphenyl)methylamino]-7H-purin-2-yl]benzamide
SMILESCOc1cccc(CNc2nc(NC(=O)c3ccccc3OC)nc3nc[nH]c23)c1
InChIInChI=1S/C21H20N6O3/c1-29-14-7-5-6-13(10-14)11-22-18-17-19(24-12-23-17)26-21(25-18)27-20(28)15-8-3-4-9-16(15)30-2/h3-10,12H,11H2,1-2H3,(H3,22,23,24,25,26,27,28)
InChIKeyZKXJPIDKKJQYDW-UHFFFAOYSA-N
XLogP3.23
TPSA114.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

Tenalisib
CID 86291103
N-(2-methoxybenzyl)-9H-purin-6-amine
CID 756722
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CID 117779854
4-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3-methoxybenzamide
CID 162643373
N-(2-benzyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-8-yl)-2-methoxybenzamide
CID 1509330
3-Methoxy-N-[3-(1-methyl-piperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-benzamide
CID 11068509
2-Methoxy-N-[3-(1-methyl-piperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-benzamide
CID 11111280
(4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)(3-methoxybiphenyl-4-yl)methanone
CID 44565606
2-(3-methoxyphenyl)-N-(4-methyl-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 57766676
3-methoxy-N-[4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]benzamide
CID 73330893
2,4,5-trimethoxy-N-(7H-purin-6-yl)benzamide
CID 118727403
4-(6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl)benzaldehyde
CID 15604546

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[6-[(3-methoxyphenyl)methylamino]-7H-purin-2-yl]benzamide?
The IUPAC name of 2-methoxy-N-[6-[(3-methoxyphenyl)methylamino]-7H-purin-2-yl]benzamide (CID 155559738) is 2-methoxy-N-[6-[(3-methoxyphenyl)methylamino]-7H-purin-2-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[6-[(3-methoxyphenyl)methylamino]-7H-purin-2-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[6-[(3-methoxyphenyl)methylamino]-7H-purin-2-yl]benzamide is COc1cccc(CNc2nc(NC(=O)c3ccccc3OC)nc3nc[nH]c23)c1.
What is the InChIKey of 2-methoxy-N-[6-[(3-methoxyphenyl)methylamino]-7H-purin-2-yl]benzamide?
The InChIKey is ZKXJPIDKKJQYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3/c1-29-14-7-5-6-13(10-14)11-22-18-17-19(24-12-23-17)26-21(25-18)27-20(28)15-8-3-4-9-16(15)30-2/h3-10,12H,11H2,1-2H3,(H3,22,23,24,25,26,27,28).
What are the key properties of 2-methoxy-N-[6-[(3-methoxyphenyl)methylamino]-7H-purin-2-yl]benzamide?
2-methoxy-N-[6-[(3-methoxyphenyl)methylamino]-7H-purin-2-yl]benzamide has a molecular weight of 404.43 g/mol, XLogP of 3.23, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[6-[(3-methoxyphenyl)methylamino]-7H-purin-2-yl]benzamide is sourced from PubChem (CID 155559738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).