2-(3-hydroxyphenyl)-9-phenylpurine-6-carboxamide

C18H13N5O2 — CID 46887864

IUPAC2-(3-hydroxyphenyl)-9-phenylpurine-6-carboxamide
SMILESNC(=O)c1nc(-c2cccc(O)c2)nc2c1ncn2-c1ccccc1
InChIInChI=1S/C18H13N5O2/c19-16(25)14-15-18(23(10-20-15)12-6-2-1-3-7-12)22-17(21-14)11-5-4-8-13(24)9-11/h1-10,24H,(H2,19,25)
InChIKeyHJLSHQKYENVPQA-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.29
Rot. Bonds3

About 2-(3-hydroxyphenyl)-9-phenylpurine-6-carboxamide

2-(3-hydroxyphenyl)-9-phenylpurine-6-carboxamide (PubChem CID 46887864) has the molecular formula C18H13N5O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-9-phenylpurine-6-carboxamide.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-9-phenylpurine-6-carboxamide
PubChem CID46887864
Molecular FormulaC18H13N5O2
Molecular Weight331.34 g/mol
Exact Mass331.11
IUPAC Name2-(3-hydroxyphenyl)-9-phenylpurine-6-carboxamide
SMILESNC(=O)c1nc(-c2cccc(O)c2)nc2c1ncn2-c1ccccc1
InChIInChI=1S/C18H13N5O2/c19-16(25)14-15-18(23(10-20-15)12-6-2-1-3-7-12)22-17(21-14)11-5-4-8-13(24)9-11/h1-10,24H,(H2,19,25)
InChIKeyHJLSHQKYENVPQA-UHFFFAOYSA-N
XLogP2.29
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-9-phenylpurine-6-carboxamide?
The IUPAC name of 2-(3-hydroxyphenyl)-9-phenylpurine-6-carboxamide (CID 46887864) is 2-(3-hydroxyphenyl)-9-phenylpurine-6-carboxamide.
What is the SMILES notation for 2-(3-hydroxyphenyl)-9-phenylpurine-6-carboxamide?
The canonical SMILES for 2-(3-hydroxyphenyl)-9-phenylpurine-6-carboxamide is NC(=O)c1nc(-c2cccc(O)c2)nc2c1ncn2-c1ccccc1.
What is the InChIKey of 2-(3-hydroxyphenyl)-9-phenylpurine-6-carboxamide?
The InChIKey is HJLSHQKYENVPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O2/c19-16(25)14-15-18(23(10-20-15)12-6-2-1-3-7-12)22-17(21-14)11-5-4-8-13(24)9-11/h1-10,24H,(H2,19,25).
What are the key properties of 2-(3-hydroxyphenyl)-9-phenylpurine-6-carboxamide?
2-(3-hydroxyphenyl)-9-phenylpurine-6-carboxamide has a molecular weight of 331.34 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-9-phenylpurine-6-carboxamide is sourced from PubChem (CID 46887864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).