5-[(2-hydroxyphenyl)methyl]-2-methyl-4-phenyl-1H-pyrimidin-6-one

C18H16N2O2 — CID 135451590

IUPAC5-[(2-hydroxyphenyl)methyl]-2-methyl-4-phenyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccccc2)c(Cc2ccccc2O)c(=O)[nH]1
InChIInChI=1S/C18H16N2O2/c1-12-19-17(13-7-3-2-4-8-13)15(18(22)20-12)11-14-9-5-6-10-16(14)21/h2-10,21H,11H2,1H3,(H,19,20,22)
InChIKeyFWYKYBIVPRKDBO-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.04
Rot. Bonds3

About 5-[(2-hydroxyphenyl)methyl]-2-methyl-4-phenyl-1H-pyrimidin-6-one

5-[(2-hydroxyphenyl)methyl]-2-methyl-4-phenyl-1H-pyrimidin-6-one (PubChem CID 135451590) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-[(2-hydroxyphenyl)methyl]-2-methyl-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(2-hydroxyphenyl)methyl]-2-methyl-4-phenyl-1H-pyrimidin-6-one
PubChem CID135451590
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name5-[(2-hydroxyphenyl)methyl]-2-methyl-4-phenyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccccc2)c(Cc2ccccc2O)c(=O)[nH]1
InChIInChI=1S/C18H16N2O2/c1-12-19-17(13-7-3-2-4-8-13)15(18(22)20-12)11-14-9-5-6-10-16(14)21/h2-10,21H,11H2,1H3,(H,19,20,22)
InChIKeyFWYKYBIVPRKDBO-UHFFFAOYSA-N
XLogP3.04
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxyphenyl)methyl]-2-methyl-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[(2-hydroxyphenyl)methyl]-2-methyl-4-phenyl-1H-pyrimidin-6-one (CID 135451590) is 5-[(2-hydroxyphenyl)methyl]-2-methyl-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(2-hydroxyphenyl)methyl]-2-methyl-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(2-hydroxyphenyl)methyl]-2-methyl-4-phenyl-1H-pyrimidin-6-one is Cc1nc(-c2ccccc2)c(Cc2ccccc2O)c(=O)[nH]1.
What is the InChIKey of 5-[(2-hydroxyphenyl)methyl]-2-methyl-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is FWYKYBIVPRKDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-12-19-17(13-7-3-2-4-8-13)15(18(22)20-12)11-14-9-5-6-10-16(14)21/h2-10,21H,11H2,1H3,(H,19,20,22).
What are the key properties of 5-[(2-hydroxyphenyl)methyl]-2-methyl-4-phenyl-1H-pyrimidin-6-one?
5-[(2-hydroxyphenyl)methyl]-2-methyl-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 292.34 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxyphenyl)methyl]-2-methyl-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135451590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).