9-(3,4-dimethylphenyl)-7-ethyl-2-(2-methoxyphenyl)-8-oxopurine-6-carboxamide

C23H23N5O3 — CID 53088313

IUPAC9-(3,4-dimethylphenyl)-7-ethyl-2-(2-methoxyphenyl)-8-oxopurine-6-carboxamide
SMILESCCn1c(=O)n(-c2ccc(C)c(C)c2)c2nc(-c3ccccc3OC)nc(C(N)=O)c21
InChIInChI=1S/C23H23N5O3/c1-5-27-19-18(20(24)29)25-21(16-8-6-7-9-17(16)31-4)26-22(19)28(23(27)30)15-11-10-13(2)14(3)12-15/h6-12H,5H2,1-4H3,(H2,24,29)
InChIKeyVGCQEFRJHXAIGT-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.99
Rot. Bonds5

About 9-(3,4-dimethylphenyl)-7-ethyl-2-(2-methoxyphenyl)-8-oxopurine-6-carboxamide

9-(3,4-dimethylphenyl)-7-ethyl-2-(2-methoxyphenyl)-8-oxopurine-6-carboxamide (PubChem CID 53088313) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 9-(3,4-dimethylphenyl)-7-ethyl-2-(2-methoxyphenyl)-8-oxopurine-6-carboxamide.

Molecular Properties

Compound Name9-(3,4-dimethylphenyl)-7-ethyl-2-(2-methoxyphenyl)-8-oxopurine-6-carboxamide
PubChem CID53088313
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name9-(3,4-dimethylphenyl)-7-ethyl-2-(2-methoxyphenyl)-8-oxopurine-6-carboxamide
SMILESCCn1c(=O)n(-c2ccc(C)c(C)c2)c2nc(-c3ccccc3OC)nc(C(N)=O)c21
InChIInChI=1S/C23H23N5O3/c1-5-27-19-18(20(24)29)25-21(16-8-6-7-9-17(16)31-4)26-22(19)28(23(27)30)15-11-10-13(2)14(3)12-15/h6-12H,5H2,1-4H3,(H2,24,29)
InChIKeyVGCQEFRJHXAIGT-UHFFFAOYSA-N
XLogP2.99
TPSA105.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 9-(3,4-dimethylphenyl)-7-ethyl-2-(2-methoxyphenyl)-8-oxopurine-6-carboxamide with MolForge

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Related Compounds

ethyl 2-[6-carbamoyl-9-(3,4-dimethylphenyl)-2-(2-ethoxyphenyl)-8-oxopurin-7-yl]acetate
CID 53088334
ethyl 2-[6-carbamoyl-9-(4-fluorophenyl)-2-(2-methoxyphenyl)-8-oxopurin-7-yl]acetate
CID 53088278
9-(3,4-dimethylphenyl)-7-ethyl-2-methyl-8-oxopurine-6-carboxamide
CID 53088314
9-(1,3-benzodioxol-5-yl)-2-(2-ethoxyphenyl)-7-ethyl-8-oxopurine-6-carboxamide
CID 53043709
7-benzyl-2-(2,4-dimethylphenyl)-9-(3,4-dimethylphenyl)-8-oxopurine-6-carboxamide
CID 53088290
7-benzyl-9-(3,4-dimethylphenyl)-2-(3-methoxyphenyl)-8-oxopurine-6-carboxamide
CID 53088289
7-benzyl-9-(3,4-dimethylphenyl)-2-(4-ethylphenyl)-8-oxopurine-6-carboxamide
CID 53088282
9-(3,4-dimethylphenyl)-N,N,7-triethyl-8-oxo-2-phenylpurine-6-carboxamide
CID 20854912
methyl 4-[6-carbamoyl-7-ethyl-9-(4-fluorophenyl)-8-oxopurin-2-yl]benzoate
CID 53088200
ethyl 2-[6-carbamoyl-9-(3,4-dimethylphenyl)-2-(4-methylsulfanylphenyl)-8-oxopurin-7-yl]acetate
CID 53088336
ethyl 2-[6-carbamoyl-2-(2-chlorophenyl)-9-(2-methoxyphenyl)-8-oxopurin-7-yl]acetate
CID 53088106
2-(3,5-dimethoxyphenyl)-9-(3,4-dimethylphenyl)-7-methyl-8-oxopurine-6-carboxamide
CID 53088320

Frequently Asked Questions

What is the IUPAC name of 9-(3,4-dimethylphenyl)-7-ethyl-2-(2-methoxyphenyl)-8-oxopurine-6-carboxamide?
The IUPAC name of 9-(3,4-dimethylphenyl)-7-ethyl-2-(2-methoxyphenyl)-8-oxopurine-6-carboxamide (CID 53088313) is 9-(3,4-dimethylphenyl)-7-ethyl-2-(2-methoxyphenyl)-8-oxopurine-6-carboxamide.
What is the SMILES notation for 9-(3,4-dimethylphenyl)-7-ethyl-2-(2-methoxyphenyl)-8-oxopurine-6-carboxamide?
The canonical SMILES for 9-(3,4-dimethylphenyl)-7-ethyl-2-(2-methoxyphenyl)-8-oxopurine-6-carboxamide is CCn1c(=O)n(-c2ccc(C)c(C)c2)c2nc(-c3ccccc3OC)nc(C(N)=O)c21.
What is the InChIKey of 9-(3,4-dimethylphenyl)-7-ethyl-2-(2-methoxyphenyl)-8-oxopurine-6-carboxamide?
The InChIKey is VGCQEFRJHXAIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-5-27-19-18(20(24)29)25-21(16-8-6-7-9-17(16)31-4)26-22(19)28(23(27)30)15-11-10-13(2)14(3)12-15/h6-12H,5H2,1-4H3,(H2,24,29).
What are the key properties of 9-(3,4-dimethylphenyl)-7-ethyl-2-(2-methoxyphenyl)-8-oxopurine-6-carboxamide?
9-(3,4-dimethylphenyl)-7-ethyl-2-(2-methoxyphenyl)-8-oxopurine-6-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,4-dimethylphenyl)-7-ethyl-2-(2-methoxyphenyl)-8-oxopurine-6-carboxamide is sourced from PubChem (CID 53088313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).