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

C21H20N6O2 — CID 155545443

IUPAC2-methoxy-N-[6-[(2-methylphenyl)methylamino]-7H-purin-2-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1nc(NCc2ccccc2C)c2[nH]cnc2n1
InChIInChI=1S/C21H20N6O2/c1-13-7-3-4-8-14(13)11-22-18-17-19(24-12-23-17)26-21(25-18)27-20(28)15-9-5-6-10-16(15)29-2/h3-10,12H,11H2,1-2H3,(H3,22,23,24,25,26,27,28)
InChIKeyPJXXYXOWSDOGHC-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.53
Rot. Bonds6

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

2-methoxy-N-[6-[(2-methylphenyl)methylamino]-7H-purin-2-yl]benzamide (PubChem CID 155545443) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 2-methoxy-N-[6-[(2-methylphenyl)methylamino]-7H-purin-2-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[6-[(2-methylphenyl)methylamino]-7H-purin-2-yl]benzamide
PubChem CID155545443
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name2-methoxy-N-[6-[(2-methylphenyl)methylamino]-7H-purin-2-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1nc(NCc2ccccc2C)c2[nH]cnc2n1
InChIInChI=1S/C21H20N6O2/c1-13-7-3-4-8-14(13)11-22-18-17-19(24-12-23-17)26-21(25-18)27-20(28)15-9-5-6-10-16(15)29-2/h3-10,12H,11H2,1-2H3,(H3,22,23,24,25,26,27,28)
InChIKeyPJXXYXOWSDOGHC-UHFFFAOYSA-N
XLogP3.53
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Tenalisib
CID 86291103
N-(2-methoxybenzyl)-9H-purin-6-amine
CID 756722
3-methoxy-4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzamide
CID 117779854
N-(2-benzyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-8-yl)-2-methoxybenzamide
CID 1509330
2-Methoxy-N-[3-(1-methyl-piperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-benzamide
CID 11111280
4-(6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl)benzaldehyde
CID 15604546
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-methoxybenzamide
CID 663726
2-methoxy-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]benzamide
CID 1509784
N-{2-[(4-acetyl-1-piperazinyl)methyl]-1-methyl-1H-benzimidazol-5-yl}-2-methoxybenzamide
CID 2970016
2-methoxy-N-[2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]benzamide
CID 4226620
N-[(E)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(5-methoxy-1H-indol-3-yl)ethyl]amino}methylidene]-2-methoxybenzamide
CID 15987544
2-Ethoxy-N-({3-[(4-methylphenyl)methyl]-3H-imidazo[4,5-B]pyridin-2-YL}methyl)benzamide
CID 16031349

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[6-[(2-methylphenyl)methylamino]-7H-purin-2-yl]benzamide?
The IUPAC name of 2-methoxy-N-[6-[(2-methylphenyl)methylamino]-7H-purin-2-yl]benzamide (CID 155545443) is 2-methoxy-N-[6-[(2-methylphenyl)methylamino]-7H-purin-2-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[6-[(2-methylphenyl)methylamino]-7H-purin-2-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[6-[(2-methylphenyl)methylamino]-7H-purin-2-yl]benzamide is COc1ccccc1C(=O)Nc1nc(NCc2ccccc2C)c2[nH]cnc2n1.
What is the InChIKey of 2-methoxy-N-[6-[(2-methylphenyl)methylamino]-7H-purin-2-yl]benzamide?
The InChIKey is PJXXYXOWSDOGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-13-7-3-4-8-14(13)11-22-18-17-19(24-12-23-17)26-21(25-18)27-20(28)15-9-5-6-10-16(15)29-2/h3-10,12H,11H2,1-2H3,(H3,22,23,24,25,26,27,28).
What are the key properties of 2-methoxy-N-[6-[(2-methylphenyl)methylamino]-7H-purin-2-yl]benzamide?
2-methoxy-N-[6-[(2-methylphenyl)methylamino]-7H-purin-2-yl]benzamide has a molecular weight of 388.43 g/mol, XLogP of 3.53, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[6-[(2-methylphenyl)methylamino]-7H-purin-2-yl]benzamide is sourced from PubChem (CID 155545443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).