9-(3,4-dimethylphenyl)-7-methyl-2-(4-methylphenyl)-8-oxopurine-6-carboxamide

C22H21N5O2 — CID 53008362

IUPAC9-(3,4-dimethylphenyl)-7-methyl-2-(4-methylphenyl)-8-oxopurine-6-carboxamide
SMILESCc1ccc(-c2nc(C(N)=O)c3c(n2)n(-c2ccc(C)c(C)c2)c(=O)n3C)cc1
InChIInChI=1S/C22H21N5O2/c1-12-5-8-15(9-6-12)20-24-17(19(23)28)18-21(25-20)27(22(29)26(18)4)16-10-7-13(2)14(3)11-16/h5-11H,1-4H3,(H2,23,28)
InChIKeySAJYFIABDAMZMO-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.81
Rot. Bonds3

About 9-(3,4-dimethylphenyl)-7-methyl-2-(4-methylphenyl)-8-oxopurine-6-carboxamide

9-(3,4-dimethylphenyl)-7-methyl-2-(4-methylphenyl)-8-oxopurine-6-carboxamide (PubChem CID 53008362) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 9-(3,4-dimethylphenyl)-7-methyl-2-(4-methylphenyl)-8-oxopurine-6-carboxamide.

Molecular Properties

Compound Name9-(3,4-dimethylphenyl)-7-methyl-2-(4-methylphenyl)-8-oxopurine-6-carboxamide
PubChem CID53008362
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name9-(3,4-dimethylphenyl)-7-methyl-2-(4-methylphenyl)-8-oxopurine-6-carboxamide
SMILESCc1ccc(-c2nc(C(N)=O)c3c(n2)n(-c2ccc(C)c(C)c2)c(=O)n3C)cc1
InChIInChI=1S/C22H21N5O2/c1-12-5-8-15(9-6-12)20-24-17(19(23)28)18-21(25-20)27(22(29)26(18)4)16-10-7-13(2)14(3)11-16/h5-11H,1-4H3,(H2,23,28)
InChIKeySAJYFIABDAMZMO-UHFFFAOYSA-N
XLogP2.81
TPSA95.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethoxyphenyl)-9-(3,4-dimethylphenyl)-7-methyl-8-oxopurine-6-carboxamide
CID 53088320
9-(3,4-dimethylphenyl)-N,N,7-trimethyl-8-oxo-2-phenylpurine-6-carboxamide
CID 20854911
7-benzyl-9-(3,4-dimethylphenyl)-2-(4-ethylphenyl)-8-oxopurine-6-carboxamide
CID 53088282
ethyl 2-[6-carbamoyl-9-(3,4-dimethylphenyl)-2-(4-methylsulfanylphenyl)-8-oxopurin-7-yl]acetate
CID 53088336
2-(4-ethoxyphenyl)-9-(4-fluorophenyl)-7-methyl-8-oxopurine-6-carboxamide
CID 53088237
9-(3-methoxyphenyl)-7-methyl-8-oxo-2-[4-(trifluoromethyl)phenyl]purine-6-carboxamide
CID 20854886
7-benzyl-2-(2,4-dimethylphenyl)-9-(3,4-dimethylphenyl)-8-oxopurine-6-carboxamide
CID 53088290
2-(4-ethoxy-3-methoxyphenyl)-9-(4-fluorophenyl)-7-methyl-8-oxopurine-6-carboxamide
CID 53088232
9-(3,4-dimethylphenyl)-7-ethyl-2-methyl-8-oxopurine-6-carboxamide
CID 53088314
2-(3-chlorophenyl)-9-(3-methoxyphenyl)-7-methyl-8-oxopurine-6-carboxamide
CID 20854879
ethyl 2-[9-(1,3-benzodioxol-5-yl)-6-carbamoyl-2-(4-methylphenyl)-8-oxopurin-7-yl]acetate
CID 53088109
7-benzyl-9-(3,4-dimethylphenyl)-2-(3-methoxyphenyl)-8-oxopurine-6-carboxamide
CID 53088289

Frequently Asked Questions

What is the IUPAC name of 9-(3,4-dimethylphenyl)-7-methyl-2-(4-methylphenyl)-8-oxopurine-6-carboxamide?
The IUPAC name of 9-(3,4-dimethylphenyl)-7-methyl-2-(4-methylphenyl)-8-oxopurine-6-carboxamide (CID 53008362) is 9-(3,4-dimethylphenyl)-7-methyl-2-(4-methylphenyl)-8-oxopurine-6-carboxamide.
What is the SMILES notation for 9-(3,4-dimethylphenyl)-7-methyl-2-(4-methylphenyl)-8-oxopurine-6-carboxamide?
The canonical SMILES for 9-(3,4-dimethylphenyl)-7-methyl-2-(4-methylphenyl)-8-oxopurine-6-carboxamide is Cc1ccc(-c2nc(C(N)=O)c3c(n2)n(-c2ccc(C)c(C)c2)c(=O)n3C)cc1.
What is the InChIKey of 9-(3,4-dimethylphenyl)-7-methyl-2-(4-methylphenyl)-8-oxopurine-6-carboxamide?
The InChIKey is SAJYFIABDAMZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-12-5-8-15(9-6-12)20-24-17(19(23)28)18-21(25-20)27(22(29)26(18)4)16-10-7-13(2)14(3)11-16/h5-11H,1-4H3,(H2,23,28).
What are the key properties of 9-(3,4-dimethylphenyl)-7-methyl-2-(4-methylphenyl)-8-oxopurine-6-carboxamide?
9-(3,4-dimethylphenyl)-7-methyl-2-(4-methylphenyl)-8-oxopurine-6-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,4-dimethylphenyl)-7-methyl-2-(4-methylphenyl)-8-oxopurine-6-carboxamide is sourced from PubChem (CID 53008362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).