2-(3-hydroxyphenyl)-9-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide

C19H15N5O3 — CID 23603381

IUPAC2-(3-hydroxyphenyl)-9-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide
SMILESCc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4cccc(O)c4)nc32)cc1
InChIInChI=1S/C19H15N5O3/c1-10-5-7-12(8-6-10)24-18-15(22-19(24)27)14(16(20)26)21-17(23-18)11-3-2-4-13(25)9-11/h2-9,25H,1H3,(H2,20,26)(H,22,27)
InChIKeyRHDWYICWXABSDD-UHFFFAOYSA-N
MW361.36 g/mol
LogP1.89
Rot. Bonds3

About 2-(3-hydroxyphenyl)-9-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide

2-(3-hydroxyphenyl)-9-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide (PubChem CID 23603381) has the molecular formula C19H15N5O3 and a molecular weight of 361.36 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-9-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-9-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide
PubChem CID23603381
Molecular FormulaC19H15N5O3
Molecular Weight361.36 g/mol
Exact Mass361.12
IUPAC Name2-(3-hydroxyphenyl)-9-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide
SMILESCc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4cccc(O)c4)nc32)cc1
InChIInChI=1S/C19H15N5O3/c1-10-5-7-12(8-6-10)24-18-15(22-19(24)27)14(16(20)26)21-17(23-18)11-3-2-4-13(25)9-11/h2-9,25H,1H3,(H2,20,26)(H,22,27)
InChIKeyRHDWYICWXABSDD-UHFFFAOYSA-N
XLogP1.89
TPSA126.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-9-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide?
The IUPAC name of 2-(3-hydroxyphenyl)-9-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide (CID 23603381) is 2-(3-hydroxyphenyl)-9-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide.
What is the SMILES notation for 2-(3-hydroxyphenyl)-9-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide?
The canonical SMILES for 2-(3-hydroxyphenyl)-9-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide is Cc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4cccc(O)c4)nc32)cc1.
What is the InChIKey of 2-(3-hydroxyphenyl)-9-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide?
The InChIKey is RHDWYICWXABSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3/c1-10-5-7-12(8-6-10)24-18-15(22-19(24)27)14(16(20)26)21-17(23-18)11-3-2-4-13(25)9-11/h2-9,25H,1H3,(H2,20,26)(H,22,27).
What are the key properties of 2-(3-hydroxyphenyl)-9-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide?
2-(3-hydroxyphenyl)-9-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide has a molecular weight of 361.36 g/mol, XLogP of 1.89, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-9-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide is sourced from PubChem (CID 23603381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).