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

C24H28N2O2 — CID 135508074

IUPAC5-butyl-2-(2-hydroxyphenyl)-6-methyl-3-(4-propan-2-ylphenyl)pyrimidin-4-one
SMILESCCCCc1c(C)nc(-c2ccccc2O)n(-c2ccc(C(C)C)cc2)c1=O
InChIInChI=1S/C24H28N2O2/c1-5-6-9-20-17(4)25-23(21-10-7-8-11-22(21)27)26(24(20)28)19-14-12-18(13-15-19)16(2)3/h7-8,10-16,27H,5-6,9H2,1-4H3
InChIKeyUZUACKSZELHEJM-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.38
Rot. Bonds6

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

5-butyl-2-(2-hydroxyphenyl)-6-methyl-3-(4-propan-2-ylphenyl)pyrimidin-4-one (PubChem CID 135508074) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 5-butyl-2-(2-hydroxyphenyl)-6-methyl-3-(4-propan-2-ylphenyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-butyl-2-(2-hydroxyphenyl)-6-methyl-3-(4-propan-2-ylphenyl)pyrimidin-4-one
PubChem CID135508074
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name5-butyl-2-(2-hydroxyphenyl)-6-methyl-3-(4-propan-2-ylphenyl)pyrimidin-4-one
SMILESCCCCc1c(C)nc(-c2ccccc2O)n(-c2ccc(C(C)C)cc2)c1=O
InChIInChI=1S/C24H28N2O2/c1-5-6-9-20-17(4)25-23(21-10-7-8-11-22(21)27)26(24(20)28)19-14-12-18(13-15-19)16(2)3/h7-8,10-16,27H,5-6,9H2,1-4H3
InChIKeyUZUACKSZELHEJM-UHFFFAOYSA-N
XLogP5.38
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-(2-hydroxyphenyl)-6-methyl-3-(4-propan-2-ylphenyl)pyrimidin-4-one?
The IUPAC name of 5-butyl-2-(2-hydroxyphenyl)-6-methyl-3-(4-propan-2-ylphenyl)pyrimidin-4-one (CID 135508074) is 5-butyl-2-(2-hydroxyphenyl)-6-methyl-3-(4-propan-2-ylphenyl)pyrimidin-4-one.
What is the SMILES notation for 5-butyl-2-(2-hydroxyphenyl)-6-methyl-3-(4-propan-2-ylphenyl)pyrimidin-4-one?
The canonical SMILES for 5-butyl-2-(2-hydroxyphenyl)-6-methyl-3-(4-propan-2-ylphenyl)pyrimidin-4-one is CCCCc1c(C)nc(-c2ccccc2O)n(-c2ccc(C(C)C)cc2)c1=O.
What is the InChIKey of 5-butyl-2-(2-hydroxyphenyl)-6-methyl-3-(4-propan-2-ylphenyl)pyrimidin-4-one?
The InChIKey is UZUACKSZELHEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-5-6-9-20-17(4)25-23(21-10-7-8-11-22(21)27)26(24(20)28)19-14-12-18(13-15-19)16(2)3/h7-8,10-16,27H,5-6,9H2,1-4H3.
What are the key properties of 5-butyl-2-(2-hydroxyphenyl)-6-methyl-3-(4-propan-2-ylphenyl)pyrimidin-4-one?
5-butyl-2-(2-hydroxyphenyl)-6-methyl-3-(4-propan-2-ylphenyl)pyrimidin-4-one has a molecular weight of 376.50 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-(2-hydroxyphenyl)-6-methyl-3-(4-propan-2-ylphenyl)pyrimidin-4-one is sourced from PubChem (CID 135508074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).