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

C17H19N5O2 — CID 53088314

IUPAC9-(3,4-dimethylphenyl)-7-ethyl-2-methyl-8-oxopurine-6-carboxamide
SMILESCCn1c(=O)n(-c2ccc(C)c(C)c2)c2nc(C)nc(C(N)=O)c21
InChIInChI=1S/C17H19N5O2/c1-5-21-14-13(15(18)23)19-11(4)20-16(14)22(17(21)24)12-7-6-9(2)10(3)8-12/h6-8H,5H2,1-4H3,(H2,18,23)
InChIKeyLMJRBJWTUMQQCT-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.63
Rot. Bonds3

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

9-(3,4-dimethylphenyl)-7-ethyl-2-methyl-8-oxopurine-6-carboxamide (PubChem CID 53088314) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 9-(3,4-dimethylphenyl)-7-ethyl-2-methyl-8-oxopurine-6-carboxamide.

Molecular Properties

Compound Name9-(3,4-dimethylphenyl)-7-ethyl-2-methyl-8-oxopurine-6-carboxamide
PubChem CID53088314
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name9-(3,4-dimethylphenyl)-7-ethyl-2-methyl-8-oxopurine-6-carboxamide
SMILESCCn1c(=O)n(-c2ccc(C)c(C)c2)c2nc(C)nc(C(N)=O)c21
InChIInChI=1S/C17H19N5O2/c1-5-21-14-13(15(18)23)19-11(4)20-16(14)22(17(21)24)12-7-6-9(2)10(3)8-12/h6-8H,5H2,1-4H3,(H2,18,23)
InChIKeyLMJRBJWTUMQQCT-UHFFFAOYSA-N
XLogP1.63
TPSA95.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(3,4-dimethylphenyl)-7-ethyl-2-methyl-8-oxopurine-6-carboxamide?
The IUPAC name of 9-(3,4-dimethylphenyl)-7-ethyl-2-methyl-8-oxopurine-6-carboxamide (CID 53088314) is 9-(3,4-dimethylphenyl)-7-ethyl-2-methyl-8-oxopurine-6-carboxamide.
What is the SMILES notation for 9-(3,4-dimethylphenyl)-7-ethyl-2-methyl-8-oxopurine-6-carboxamide?
The canonical SMILES for 9-(3,4-dimethylphenyl)-7-ethyl-2-methyl-8-oxopurine-6-carboxamide is CCn1c(=O)n(-c2ccc(C)c(C)c2)c2nc(C)nc(C(N)=O)c21.
What is the InChIKey of 9-(3,4-dimethylphenyl)-7-ethyl-2-methyl-8-oxopurine-6-carboxamide?
The InChIKey is LMJRBJWTUMQQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-5-21-14-13(15(18)23)19-11(4)20-16(14)22(17(21)24)12-7-6-9(2)10(3)8-12/h6-8H,5H2,1-4H3,(H2,18,23).
What are the key properties of 9-(3,4-dimethylphenyl)-7-ethyl-2-methyl-8-oxopurine-6-carboxamide?
9-(3,4-dimethylphenyl)-7-ethyl-2-methyl-8-oxopurine-6-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.63, 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-ethyl-2-methyl-8-oxopurine-6-carboxamide is sourced from PubChem (CID 53088314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).