2-(2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one

C19H18N2O2 — CID 135494510

IUPAC2-(2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one
SMILESCc1cc(=O)n(CCc2ccccc2)c(-c2ccccc2O)n1
InChIInChI=1S/C19H18N2O2/c1-14-13-18(23)21(12-11-15-7-3-2-4-8-15)19(20-14)16-9-5-6-10-17(16)22/h2-10,13,22H,11-12H2,1H3
InChIKeyVXBUHKCYEWBCQJ-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.17
Rot. Bonds4

About 2-(2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one

2-(2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one (PubChem CID 135494510) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one
PubChem CID135494510
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name2-(2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one
SMILESCc1cc(=O)n(CCc2ccccc2)c(-c2ccccc2O)n1
InChIInChI=1S/C19H18N2O2/c1-14-13-18(23)21(12-11-15-7-3-2-4-8-15)19(20-14)16-9-5-6-10-17(16)22/h2-10,13,22H,11-12H2,1H3
InChIKeyVXBUHKCYEWBCQJ-UHFFFAOYSA-N
XLogP3.17
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one?
The IUPAC name of 2-(2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one (CID 135494510) is 2-(2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one.
What is the SMILES notation for 2-(2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one?
The canonical SMILES for 2-(2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one is Cc1cc(=O)n(CCc2ccccc2)c(-c2ccccc2O)n1.
What is the InChIKey of 2-(2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one?
The InChIKey is VXBUHKCYEWBCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-14-13-18(23)21(12-11-15-7-3-2-4-8-15)19(20-14)16-9-5-6-10-17(16)22/h2-10,13,22H,11-12H2,1H3.
What are the key properties of 2-(2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one?
2-(2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one has a molecular weight of 306.37 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one is sourced from PubChem (CID 135494510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).