2-(3,4-dimethoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide

C21H19N5O4 — CID 23603359

IUPAC2-(3,4-dimethoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide
SMILESCOc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4cccc(C)c4)c3n2)cc1OC
InChIInChI=1S/C21H19N5O4/c1-11-5-4-6-13(9-11)26-20-17(24-21(26)28)16(18(22)27)23-19(25-20)12-7-8-14(29-2)15(10-12)30-3/h4-10H,1-3H3,(H2,22,27)(H,24,28)
InChIKeyVEOJXSFELXFMTI-UHFFFAOYSA-N
MW405.41 g/mol
LogP2.20
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide

2-(3,4-dimethoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide (PubChem CID 23603359) has the molecular formula C21H19N5O4 and a molecular weight of 405.41 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide
PubChem CID23603359
Molecular FormulaC21H19N5O4
Molecular Weight405.41 g/mol
Exact Mass405.14
IUPAC Name2-(3,4-dimethoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide
SMILESCOc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4cccc(C)c4)c3n2)cc1OC
InChIInChI=1S/C21H19N5O4/c1-11-5-4-6-13(9-11)26-20-17(24-21(26)28)16(18(22)27)23-19(25-20)12-7-8-14(29-2)15(10-12)30-3/h4-10H,1-3H3,(H2,22,27)(H,24,28)
InChIKeyVEOJXSFELXFMTI-UHFFFAOYSA-N
XLogP2.20
TPSA125.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,4-dimethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide
CID 23603281
9-(3,4-dimethoxyphenyl)-8-oxo-2-phenyl-7H-purine-6-carboxamide
CID 16810176
2,9-bis(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 7422839
9-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-8-oxo-7H-purine-6-carboxamide
CID 7267847
9-(3,4-dimethylphenyl)-2-(4-hydroxy-3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 135680401
9-(3,4-dimethoxyphenyl)-8-oxo-2-[3-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide
CID 41006064
methyl 3-[6-carbamoyl-8-oxo-2-(4-phenylphenyl)-7H-purin-9-yl]benzoate
CID 130339985
9-(3-methoxyphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide
CID 7599621
9-(4-chlorophenyl)-2-(3-hydroxy-4-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 23603348
2-(3-hydroxyphenyl)-9-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide
CID 23603381
9-(3-chlorophenyl)-2-(2,5-dimethoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 23603324
2-(2,5-dimethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide
CID 23603297

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide (CID 23603359) is 2-(3,4-dimethoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide is COc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4cccc(C)c4)c3n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide?
The InChIKey is VEOJXSFELXFMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O4/c1-11-5-4-6-13(9-11)26-20-17(24-21(26)28)16(18(22)27)23-19(25-20)12-7-8-14(29-2)15(10-12)30-3/h4-10H,1-3H3,(H2,22,27)(H,24,28).
What are the key properties of 2-(3,4-dimethoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide?
2-(3,4-dimethoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide has a molecular weight of 405.41 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide is sourced from PubChem (CID 23603359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).