2,5-dimethoxy-N-(7H-purin-6-yl)benzamide

C14H13N5O3 — CID 118727392

IUPAC2,5-dimethoxy-N-(7H-purin-6-yl)benzamide
SMILESCOc1ccc(OC)c(C(=O)Nc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C14H13N5O3/c1-21-8-3-4-10(22-2)9(5-8)14(20)19-13-11-12(16-6-15-11)17-7-18-13/h3-7H,1-2H3,(H2,15,16,17,18,19,20)
InChIKeyUJRVYNUCJZGKNQ-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.62
Rot. Bonds4

About 2,5-dimethoxy-N-(7H-purin-6-yl)benzamide

2,5-dimethoxy-N-(7H-purin-6-yl)benzamide (PubChem CID 118727392) has the molecular formula C14H13N5O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is 2,5-dimethoxy-N-(7H-purin-6-yl)benzamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-(7H-purin-6-yl)benzamide
PubChem CID118727392
Molecular FormulaC14H13N5O3
Molecular Weight299.29 g/mol
Exact Mass299.10
IUPAC Name2,5-dimethoxy-N-(7H-purin-6-yl)benzamide
SMILESCOc1ccc(OC)c(C(=O)Nc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C14H13N5O3/c1-21-8-3-4-10(22-2)9(5-8)14(20)19-13-11-12(16-6-15-11)17-7-18-13/h3-7H,1-2H3,(H2,15,16,17,18,19,20)
InChIKeyUJRVYNUCJZGKNQ-UHFFFAOYSA-N
XLogP1.62
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
2,4,5-trimethoxy-N-(7H-purin-6-yl)benzamide
CID 118727403
8-(2,5-dimethoxyphenyl)-9H-purine-2,6-diamine
CID 473570
N-(3-benzyl-5-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)-3-methoxybenzamide
CID 44590255
2-[7-(hydroxyamino)-7-oxoheptoxy]-N-(7H-purin-6-yl)benzamide
CID 132503236
2-[8-(hydroxyamino)-8-oxooctoxy]-N-(7H-purin-6-yl)benzamide
CID 137648883
N-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methoxy-4-methylbenzamide
CID 44591581
N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methoxy-4-methylbenzamide
CID 44591923
N-[(3-methoxyphenyl)methyl]-7H-purin-6-amine
CID 850966
N-(3-benzyl-5-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)-2-methoxybenzamide
CID 44590254
3,4-dimethoxy-N-(9H-purin-6-yl)benzamide
CID 118727390

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-(7H-purin-6-yl)benzamide?
The IUPAC name of 2,5-dimethoxy-N-(7H-purin-6-yl)benzamide (CID 118727392) is 2,5-dimethoxy-N-(7H-purin-6-yl)benzamide.
What is the SMILES notation for 2,5-dimethoxy-N-(7H-purin-6-yl)benzamide?
The canonical SMILES for 2,5-dimethoxy-N-(7H-purin-6-yl)benzamide is COc1ccc(OC)c(C(=O)Nc2ncnc3nc[nH]c23)c1.
What is the InChIKey of 2,5-dimethoxy-N-(7H-purin-6-yl)benzamide?
The InChIKey is UJRVYNUCJZGKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3/c1-21-8-3-4-10(22-2)9(5-8)14(20)19-13-11-12(16-6-15-11)17-7-18-13/h3-7H,1-2H3,(H2,15,16,17,18,19,20).
What are the key properties of 2,5-dimethoxy-N-(7H-purin-6-yl)benzamide?
2,5-dimethoxy-N-(7H-purin-6-yl)benzamide has a molecular weight of 299.29 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-(7H-purin-6-yl)benzamide is sourced from PubChem (CID 118727392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).