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

C20H17N5O4 — CID 16810176

IUPAC9-(3,4-dimethoxyphenyl)-8-oxo-2-phenyl-7H-purine-6-carboxamide
SMILESCOc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccccc4)nc32)cc1OC
InChIInChI=1S/C20H17N5O4/c1-28-13-9-8-12(10-14(13)29-2)25-19-16(23-20(25)27)15(17(21)26)22-18(24-19)11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,21,26)(H,23,27)
InChIKeyXADHAKYSMISALP-UHFFFAOYSA-N
MW391.39 g/mol
LogP1.89
Rot. Bonds5

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

9-(3,4-dimethoxyphenyl)-8-oxo-2-phenyl-7H-purine-6-carboxamide (PubChem CID 16810176) has the molecular formula C20H17N5O4 and a molecular weight of 391.39 g/mol. Its IUPAC name is 9-(3,4-dimethoxyphenyl)-8-oxo-2-phenyl-7H-purine-6-carboxamide.

Molecular Properties

Compound Name9-(3,4-dimethoxyphenyl)-8-oxo-2-phenyl-7H-purine-6-carboxamide
PubChem CID16810176
Molecular FormulaC20H17N5O4
Molecular Weight391.39 g/mol
Exact Mass391.13
IUPAC Name9-(3,4-dimethoxyphenyl)-8-oxo-2-phenyl-7H-purine-6-carboxamide
SMILESCOc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccccc4)nc32)cc1OC
InChIInChI=1S/C20H17N5O4/c1-28-13-9-8-12(10-14(13)29-2)25-19-16(23-20(25)27)15(17(21)26)22-18(24-19)11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,21,26)(H,23,27)
InChIKeyXADHAKYSMISALP-UHFFFAOYSA-N
XLogP1.89
TPSA125.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 51.89
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)-2-(3-fluorophenyl)-8-oxo-7H-purine-6-carboxamide
CID 7267847
9-(3,4-dimethoxyphenyl)-8-oxo-2-[3-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide
CID 41006064
2-(3,4-dimethoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide
CID 23603359
2,9-bis(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 7422839
methyl 3-[6-carbamoyl-8-oxo-2-(4-phenylphenyl)-7H-purin-9-yl]benzoate
CID 130339985
2-(2,5-dimethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide
CID 23603297
9-(3,4-dimethylphenyl)-2-(4-hydroxy-3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 135680401
9-(4-chlorophenyl)-2-(3-hydroxy-4-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 23603348
9-(2-methoxyphenyl)-2-(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 7196971
2-(2,4-dimethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide
CID 23603293
2-(3-hydroxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 7196943

Frequently Asked Questions

What is the IUPAC name of 9-(3,4-dimethoxyphenyl)-8-oxo-2-phenyl-7H-purine-6-carboxamide?
The IUPAC name of 9-(3,4-dimethoxyphenyl)-8-oxo-2-phenyl-7H-purine-6-carboxamide (CID 16810176) is 9-(3,4-dimethoxyphenyl)-8-oxo-2-phenyl-7H-purine-6-carboxamide.
What is the SMILES notation for 9-(3,4-dimethoxyphenyl)-8-oxo-2-phenyl-7H-purine-6-carboxamide?
The canonical SMILES for 9-(3,4-dimethoxyphenyl)-8-oxo-2-phenyl-7H-purine-6-carboxamide is COc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccccc4)nc32)cc1OC.
What is the InChIKey of 9-(3,4-dimethoxyphenyl)-8-oxo-2-phenyl-7H-purine-6-carboxamide?
The InChIKey is XADHAKYSMISALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O4/c1-28-13-9-8-12(10-14(13)29-2)25-19-16(23-20(25)27)15(17(21)26)22-18(24-19)11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,21,26)(H,23,27).
What are the key properties of 9-(3,4-dimethoxyphenyl)-8-oxo-2-phenyl-7H-purine-6-carboxamide?
9-(3,4-dimethoxyphenyl)-8-oxo-2-phenyl-7H-purine-6-carboxamide has a molecular weight of 391.39 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,4-dimethoxyphenyl)-8-oxo-2-phenyl-7H-purine-6-carboxamide is sourced from PubChem (CID 16810176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).