2-(2-hydroxyphenyl)-6-methyl-5-phenyl-3-(4-propan-2-ylphenyl)pyrimidin-4-one

C26H24N2O2 — CID 135520479

IUPAC2-(2-hydroxyphenyl)-6-methyl-5-phenyl-3-(4-propan-2-ylphenyl)pyrimidin-4-one
SMILESCc1nc(-c2ccccc2O)n(-c2ccc(C(C)C)cc2)c(=O)c1-c1ccccc1
InChIInChI=1S/C26H24N2O2/c1-17(2)19-13-15-21(16-14-19)28-25(22-11-7-8-12-23(22)29)27-18(3)24(26(28)30)20-9-5-4-6-10-20/h4-17,29H,1-3H3
InChIKeyFXBSWMPZRSLMHS-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.70
Rot. Bonds4

About 2-(2-hydroxyphenyl)-6-methyl-5-phenyl-3-(4-propan-2-ylphenyl)pyrimidin-4-one

2-(2-hydroxyphenyl)-6-methyl-5-phenyl-3-(4-propan-2-ylphenyl)pyrimidin-4-one (PubChem CID 135520479) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-6-methyl-5-phenyl-3-(4-propan-2-ylphenyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-6-methyl-5-phenyl-3-(4-propan-2-ylphenyl)pyrimidin-4-one
PubChem CID135520479
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Name2-(2-hydroxyphenyl)-6-methyl-5-phenyl-3-(4-propan-2-ylphenyl)pyrimidin-4-one
SMILESCc1nc(-c2ccccc2O)n(-c2ccc(C(C)C)cc2)c(=O)c1-c1ccccc1
InChIInChI=1S/C26H24N2O2/c1-17(2)19-13-15-21(16-14-19)28-25(22-11-7-8-12-23(22)29)27-18(3)24(26(28)30)20-9-5-4-6-10-20/h4-17,29H,1-3H3
InChIKeyFXBSWMPZRSLMHS-UHFFFAOYSA-N
XLogP5.70
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.70
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-5-phenyl-3-(4-propan-2-ylphenyl)pyrimidin-4-one?
The IUPAC name of 2-(2-hydroxyphenyl)-6-methyl-5-phenyl-3-(4-propan-2-ylphenyl)pyrimidin-4-one (CID 135520479) is 2-(2-hydroxyphenyl)-6-methyl-5-phenyl-3-(4-propan-2-ylphenyl)pyrimidin-4-one.
What is the SMILES notation for 2-(2-hydroxyphenyl)-6-methyl-5-phenyl-3-(4-propan-2-ylphenyl)pyrimidin-4-one?
The canonical SMILES for 2-(2-hydroxyphenyl)-6-methyl-5-phenyl-3-(4-propan-2-ylphenyl)pyrimidin-4-one is Cc1nc(-c2ccccc2O)n(-c2ccc(C(C)C)cc2)c(=O)c1-c1ccccc1.
What is the InChIKey of 2-(2-hydroxyphenyl)-6-methyl-5-phenyl-3-(4-propan-2-ylphenyl)pyrimidin-4-one?
The InChIKey is FXBSWMPZRSLMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c1-17(2)19-13-15-21(16-14-19)28-25(22-11-7-8-12-23(22)29)27-18(3)24(26(28)30)20-9-5-4-6-10-20/h4-17,29H,1-3H3.
What are the key properties of 2-(2-hydroxyphenyl)-6-methyl-5-phenyl-3-(4-propan-2-ylphenyl)pyrimidin-4-one?
2-(2-hydroxyphenyl)-6-methyl-5-phenyl-3-(4-propan-2-ylphenyl)pyrimidin-4-one has a molecular weight of 396.49 g/mol, XLogP of 5.70, 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-5-phenyl-3-(4-propan-2-ylphenyl)pyrimidin-4-one is sourced from PubChem (CID 135520479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).