2-butyl-5-methyl-4-phenyl-1H-pyrimidin-6-one

C15H18N2O — CID 136764378

IUPAC2-butyl-5-methyl-4-phenyl-1H-pyrimidin-6-one
SMILESCCCCc1nc(-c2ccccc2)c(C)c(=O)[nH]1
InChIInChI=1S/C15H18N2O/c1-3-4-10-13-16-14(11(2)15(18)17-13)12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3,(H,16,17,18)
InChIKeyMOSQYQCGASHWOA-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.09
Rot. Bonds4

About 2-butyl-5-methyl-4-phenyl-1H-pyrimidin-6-one

2-butyl-5-methyl-4-phenyl-1H-pyrimidin-6-one (PubChem CID 136764378) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-butyl-5-methyl-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-butyl-5-methyl-4-phenyl-1H-pyrimidin-6-one
PubChem CID136764378
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-butyl-5-methyl-4-phenyl-1H-pyrimidin-6-one
SMILESCCCCc1nc(-c2ccccc2)c(C)c(=O)[nH]1
InChIInChI=1S/C15H18N2O/c1-3-4-10-13-16-14(11(2)15(18)17-13)12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3,(H,16,17,18)
InChIKeyMOSQYQCGASHWOA-UHFFFAOYSA-N
XLogP3.09
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butyl-4,5-diphenyl-1H-imidazole
CID 14710025
5-methyl-4-phenyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 136890465
4-(3-chloro-4-methylphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one
CID 136769809
5-methyl-2-(methylamino)-4-phenyl-1H-pyrimidin-6-one
CID 137000220
pentyl N-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)carbamate
CID 136609072
4-(3,5-dimethoxyphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one
CID 136769485
4-(3-chlorophenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136692221
5-methyl-2-phenyl-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135753934
5-methyl-4-phenyl-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136764386
5-methyl-4-phenyl-2-(5-phenylpentyl)-1H-imidazole
CID 139695615
8-methyl-2-pentyl-3H-quinazolin-4-one
CID 137279746
4-(3,5-dimethylphenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136691708

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-methyl-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-butyl-5-methyl-4-phenyl-1H-pyrimidin-6-one (CID 136764378) is 2-butyl-5-methyl-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-butyl-5-methyl-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-butyl-5-methyl-4-phenyl-1H-pyrimidin-6-one is CCCCc1nc(-c2ccccc2)c(C)c(=O)[nH]1.
What is the InChIKey of 2-butyl-5-methyl-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is MOSQYQCGASHWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-3-4-10-13-16-14(11(2)15(18)17-13)12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3,(H,16,17,18).
What are the key properties of 2-butyl-5-methyl-4-phenyl-1H-pyrimidin-6-one?
2-butyl-5-methyl-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 242.32 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-methyl-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136764378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).