2-(2-methoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide

C20H17N5O3 — CID 3239826

IUPAC2-(2-methoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide
SMILESCOc1ccccc1-c1nc(C(N)=O)c2[nH]c(=O)n(-c3cccc(C)c3)c2n1
InChIInChI=1S/C20H17N5O3/c1-11-6-5-7-12(10-11)25-19-16(23-20(25)27)15(17(21)26)22-18(24-19)13-8-3-4-9-14(13)28-2/h3-10H,1-2H3,(H2,21,26)(H,23,27)
InChIKeyXKRGVSPNSYIMLG-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.19
Rot. Bonds4

About 2-(2-methoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide

2-(2-methoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide (PubChem CID 3239826) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide
PubChem CID3239826
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name2-(2-methoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide
SMILESCOc1ccccc1-c1nc(C(N)=O)c2[nH]c(=O)n(-c3cccc(C)c3)c2n1
InChIInChI=1S/C20H17N5O3/c1-11-6-5-7-12(10-11)25-19-16(23-20(25)27)15(17(21)26)22-18(24-19)13-8-3-4-9-14(13)28-2/h3-10H,1-2H3,(H2,21,26)(H,23,27)
InChIKeyXKRGVSPNSYIMLG-UHFFFAOYSA-N
XLogP2.19
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide?
The IUPAC name of 2-(2-methoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide (CID 3239826) is 2-(2-methoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide?
The canonical SMILES for 2-(2-methoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide is COc1ccccc1-c1nc(C(N)=O)c2[nH]c(=O)n(-c3cccc(C)c3)c2n1.
What is the InChIKey of 2-(2-methoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide?
The InChIKey is XKRGVSPNSYIMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-11-6-5-7-12(10-11)25-19-16(23-20(25)27)15(17(21)26)22-18(24-19)13-8-3-4-9-14(13)28-2/h3-10H,1-2H3,(H2,21,26)(H,23,27).
What are the key properties of 2-(2-methoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide?
2-(2-methoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide has a molecular weight of 375.39 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide is sourced from PubChem (CID 3239826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).