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

C21H19N5O4 — CID 7267838

IUPAC9-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide
SMILESCOc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc(C)cc4)nc32)c(OC)c1
InChIInChI=1S/C21H19N5O4/c1-11-4-6-12(7-5-11)19-23-16(18(22)27)17-20(25-19)26(21(28)24-17)14-9-8-13(29-2)10-15(14)30-3/h4-10H,1-3H3,(H2,22,27)(H,24,28)
InChIKeyCFQZVDGRDCWDPK-UHFFFAOYSA-N
MW405.41 g/mol
LogP2.20
Rot. Bonds5

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

9-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide (PubChem CID 7267838) has the molecular formula C21H19N5O4 and a molecular weight of 405.41 g/mol. Its IUPAC name is 9-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide.

Molecular Properties

Compound Name9-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide
PubChem CID7267838
Molecular FormulaC21H19N5O4
Molecular Weight405.41 g/mol
Exact Mass405.14
IUPAC Name9-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide
SMILESCOc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc(C)cc4)nc32)c(OC)c1
InChIInChI=1S/C21H19N5O4/c1-11-4-6-12(7-5-11)19-23-16(18(22)27)17-20(25-19)26(21(28)24-17)14-9-8-13(29-2)10-15(14)30-3/h4-10H,1-3H3,(H2,22,27)(H,24,28)
InChIKeyCFQZVDGRDCWDPK-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

9-(2,4-dimethoxyphenyl)-2-(4-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 135680402
9-(2,4-dimethoxyphenyl)-8-oxo-2-(4-phenylmethoxyphenyl)-7H-purine-6-carboxamide
CID 16822606
9-(2-methoxyphenyl)-2-(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 7196971
2-(2,4-dimethoxyphenyl)-9-(2-fluorophenyl)-8-oxo-7H-purine-6-carboxamide
CID 7267785
2-(3,4-dimethoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide
CID 23603359
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
2-(3,4-dimethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide
CID 23603281
2,9-bis(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 7422839
9-(2,3-dimethoxyphenyl)-2-(4-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 135787636
9-(3,4-dimethoxyphenyl)-8-oxo-2-phenyl-7H-purine-6-carboxamide
CID 16810176
2-(2,5-dimethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide
CID 23603297

Frequently Asked Questions

What is the IUPAC name of 9-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide?
The IUPAC name of 9-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide (CID 7267838) is 9-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide.
What is the SMILES notation for 9-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide?
The canonical SMILES for 9-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide is COc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc(C)cc4)nc32)c(OC)c1.
What is the InChIKey of 9-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide?
The InChIKey is CFQZVDGRDCWDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O4/c1-11-4-6-12(7-5-11)19-23-16(18(22)27)17-20(25-19)26(21(28)24-17)14-9-8-13(29-2)10-15(14)30-3/h4-10H,1-3H3,(H2,22,27)(H,24,28).
What are the key properties of 9-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide?
9-(2,4-dimethoxyphenyl)-2-(4-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 9-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide is sourced from PubChem (CID 7267838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).