9-(3,4-dimethylphenyl)-2-(2-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide

C20H17N5O3 — CID 135680395

IUPAC9-(3,4-dimethylphenyl)-2-(2-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
SMILESCc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccccc4O)nc32)cc1C
InChIInChI=1S/C20H17N5O3/c1-10-7-8-12(9-11(10)2)25-19-16(23-20(25)28)15(17(21)27)22-18(24-19)13-5-3-4-6-14(13)26/h3-9,26H,1-2H3,(H2,21,27)(H,23,28)
InChIKeyVQBHWMOHSOXGFE-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.20
Rot. Bonds3

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

9-(3,4-dimethylphenyl)-2-(2-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide (PubChem CID 135680395) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 9-(3,4-dimethylphenyl)-2-(2-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide.

Molecular Properties

Compound Name9-(3,4-dimethylphenyl)-2-(2-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
PubChem CID135680395
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name9-(3,4-dimethylphenyl)-2-(2-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
SMILESCc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccccc4O)nc32)cc1C
InChIInChI=1S/C20H17N5O3/c1-10-7-8-12(9-11(10)2)25-19-16(23-20(25)28)15(17(21)27)22-18(24-19)13-5-3-4-6-14(13)26/h3-9,26H,1-2H3,(H2,21,27)(H,23,28)
InChIKeyVQBHWMOHSOXGFE-UHFFFAOYSA-N
XLogP2.20
TPSA126.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

9-(3,4-dimethylphenyl)-2-(4-hydroxy-3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 135680401
2-(3-bromophenyl)-9-(3,4-dimethylphenyl)-8-oxo-7H-purine-6-carboxamide
CID 16810154
9-(3,4-dimethylphenyl)-8-oxo-2-propyl-7H-purine-6-carboxamide
CID 7599549
9-(3,4-dimethoxyphenyl)-8-oxo-2-phenyl-7H-purine-6-carboxamide
CID 16810176
9-(3,4-dichlorophenyl)-2-(2-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 16815187
2-(3-hydroxyphenyl)-9-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide
CID 23603381
2-(2,4-dimethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide
CID 23603293
2-(2,5-dimethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide
CID 23603297
2-(3,4-dimethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide
CID 23603281
2,9-bis(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 20960109
2-(3-hydroxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide
CID 16825178
2-(3,4-dimethoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide
CID 23603359

Frequently Asked Questions

What is the IUPAC name of 9-(3,4-dimethylphenyl)-2-(2-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide?
The IUPAC name of 9-(3,4-dimethylphenyl)-2-(2-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide (CID 135680395) is 9-(3,4-dimethylphenyl)-2-(2-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide.
What is the SMILES notation for 9-(3,4-dimethylphenyl)-2-(2-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide?
The canonical SMILES for 9-(3,4-dimethylphenyl)-2-(2-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide is Cc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccccc4O)nc32)cc1C.
What is the InChIKey of 9-(3,4-dimethylphenyl)-2-(2-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide?
The InChIKey is VQBHWMOHSOXGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-10-7-8-12(9-11(10)2)25-19-16(23-20(25)28)15(17(21)27)22-18(24-19)13-5-3-4-6-14(13)26/h3-9,26H,1-2H3,(H2,21,27)(H,23,28).
What are the key properties of 9-(3,4-dimethylphenyl)-2-(2-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide?
9-(3,4-dimethylphenyl)-2-(2-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide has a molecular weight of 375.39 g/mol, XLogP of 2.20, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,4-dimethylphenyl)-2-(2-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide is sourced from PubChem (CID 135680395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).