2-(3,5-dimethoxyphenyl)-9-(3,4-dimethylphenyl)-7-methyl-8-oxopurine-6-carboxamide

C23H23N5O4 — CID 53088320

IUPAC2-(3,5-dimethoxyphenyl)-9-(3,4-dimethylphenyl)-7-methyl-8-oxopurine-6-carboxamide
SMILESCOc1cc(OC)cc(-c2nc(C(N)=O)c3c(n2)n(-c2ccc(C)c(C)c2)c(=O)n3C)c1
InChIInChI=1S/C23H23N5O4/c1-12-6-7-15(8-13(12)2)28-22-19(27(3)23(28)30)18(20(24)29)25-21(26-22)14-9-16(31-4)11-17(10-14)32-5/h6-11H,1-5H3,(H2,24,29)
InChIKeyGTZSVIALGFBVBZ-UHFFFAOYSA-N
MW433.47 g/mol
LogP2.52
Rot. Bonds5

About 2-(3,5-dimethoxyphenyl)-9-(3,4-dimethylphenyl)-7-methyl-8-oxopurine-6-carboxamide

2-(3,5-dimethoxyphenyl)-9-(3,4-dimethylphenyl)-7-methyl-8-oxopurine-6-carboxamide (PubChem CID 53088320) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-9-(3,4-dimethylphenyl)-7-methyl-8-oxopurine-6-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-9-(3,4-dimethylphenyl)-7-methyl-8-oxopurine-6-carboxamide
PubChem CID53088320
Molecular FormulaC23H23N5O4
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC Name2-(3,5-dimethoxyphenyl)-9-(3,4-dimethylphenyl)-7-methyl-8-oxopurine-6-carboxamide
SMILESCOc1cc(OC)cc(-c2nc(C(N)=O)c3c(n2)n(-c2ccc(C)c(C)c2)c(=O)n3C)c1
InChIInChI=1S/C23H23N5O4/c1-12-6-7-15(8-13(12)2)28-22-19(27(3)23(28)30)18(20(24)29)25-21(26-22)14-9-16(31-4)11-17(10-14)32-5/h6-11H,1-5H3,(H2,24,29)
InChIKeyGTZSVIALGFBVBZ-UHFFFAOYSA-N
XLogP2.52
TPSA114.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

9-(3,4-dimethylphenyl)-7-methyl-2-(4-methylphenyl)-8-oxopurine-6-carboxamide
CID 53008362
7-benzyl-9-(3,4-dimethylphenyl)-2-(3-methoxyphenyl)-8-oxopurine-6-carboxamide
CID 53088289
2-(3-chlorophenyl)-9-(3-methoxyphenyl)-7-methyl-8-oxopurine-6-carboxamide
CID 20854879
9-(3-methoxyphenyl)-7-methyl-8-oxo-2-[4-(trifluoromethyl)phenyl]purine-6-carboxamide
CID 20854886
2-(3,5-dimethoxyphenyl)-7-ethyl-9-(4-fluorophenyl)-8-oxopurine-6-carboxamide
CID 53088202
9-(3,4-dimethylphenyl)-N,N,7-trimethyl-8-oxo-2-phenylpurine-6-carboxamide
CID 20854911
2-(4-ethoxy-3-methoxyphenyl)-9-(4-fluorophenyl)-7-methyl-8-oxopurine-6-carboxamide
CID 53088232
9-(3,4-dimethylphenyl)-7-ethyl-2-(2-methoxyphenyl)-8-oxopurine-6-carboxamide
CID 53088313
9-(3-methoxyphenyl)-7-methyl-8-oxo-2-propan-2-ylpurine-6-carboxamide
CID 20854887
2-(4-ethoxyphenyl)-9-(4-fluorophenyl)-7-methyl-8-oxopurine-6-carboxamide
CID 53088237
ethyl 2-[6-carbamoyl-9-(3,4-dimethylphenyl)-2-(4-methylsulfanylphenyl)-8-oxopurin-7-yl]acetate
CID 53088336
7-benzyl-9-(3,4-dimethylphenyl)-2-(4-ethylphenyl)-8-oxopurine-6-carboxamide
CID 53088282

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)-9-(3,4-dimethylphenyl)-7-methyl-8-oxopurine-6-carboxamide?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-9-(3,4-dimethylphenyl)-7-methyl-8-oxopurine-6-carboxamide (CID 53088320) is 2-(3,5-dimethoxyphenyl)-9-(3,4-dimethylphenyl)-7-methyl-8-oxopurine-6-carboxamide.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-9-(3,4-dimethylphenyl)-7-methyl-8-oxopurine-6-carboxamide?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-9-(3,4-dimethylphenyl)-7-methyl-8-oxopurine-6-carboxamide is COc1cc(OC)cc(-c2nc(C(N)=O)c3c(n2)n(-c2ccc(C)c(C)c2)c(=O)n3C)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-9-(3,4-dimethylphenyl)-7-methyl-8-oxopurine-6-carboxamide?
The InChIKey is GTZSVIALGFBVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4/c1-12-6-7-15(8-13(12)2)28-22-19(27(3)23(28)30)18(20(24)29)25-21(26-22)14-9-16(31-4)11-17(10-14)32-5/h6-11H,1-5H3,(H2,24,29).
What are the key properties of 2-(3,5-dimethoxyphenyl)-9-(3,4-dimethylphenyl)-7-methyl-8-oxopurine-6-carboxamide?
2-(3,5-dimethoxyphenyl)-9-(3,4-dimethylphenyl)-7-methyl-8-oxopurine-6-carboxamide has a molecular weight of 433.47 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)-9-(3,4-dimethylphenyl)-7-methyl-8-oxopurine-6-carboxamide is sourced from PubChem (CID 53088320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).