2-ethyl-4-(3-fluoro-4-methylphenyl)-5-methyl-1H-pyrimidin-6-one

C14H15FN2O — CID 136769785

IUPAC2-ethyl-4-(3-fluoro-4-methylphenyl)-5-methyl-1H-pyrimidin-6-one
SMILESCCc1nc(-c2ccc(C)c(F)c2)c(C)c(=O)[nH]1
InChIInChI=1S/C14H15FN2O/c1-4-12-16-13(9(3)14(18)17-12)10-6-5-8(2)11(15)7-10/h5-7H,4H2,1-3H3,(H,16,17,18)
InChIKeyFDDGXMNURPRRJV-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.76
Rot. Bonds2

About 2-ethyl-4-(3-fluoro-4-methylphenyl)-5-methyl-1H-pyrimidin-6-one

2-ethyl-4-(3-fluoro-4-methylphenyl)-5-methyl-1H-pyrimidin-6-one (PubChem CID 136769785) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 2-ethyl-4-(3-fluoro-4-methylphenyl)-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(3-fluoro-4-methylphenyl)-5-methyl-1H-pyrimidin-6-one
PubChem CID136769785
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name2-ethyl-4-(3-fluoro-4-methylphenyl)-5-methyl-1H-pyrimidin-6-one
SMILESCCc1nc(-c2ccc(C)c(F)c2)c(C)c(=O)[nH]1
InChIInChI=1S/C14H15FN2O/c1-4-12-16-13(9(3)14(18)17-12)10-6-5-8(2)11(15)7-10/h5-7H,4H2,1-3H3,(H,16,17,18)
InChIKeyFDDGXMNURPRRJV-UHFFFAOYSA-N
XLogP2.76
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,5-dimethylphenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136691708
4-(3-chlorophenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136692221
3-(2-ethyl-5-methyl-6-oxo-1H-pyrimidin-4-yl)-5-fluorobenzoic acid
CID 136770477
4-(3-chloro-4-methylphenyl)-5-methyl-2-propyl-1H-pyrimidin-6-one
CID 136769809
2-ethyl-5-methyl-4-(3-propan-2-yloxyphenyl)-1H-pyrimidin-6-one
CID 136769566
4-(2,3-dimethylphenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136692473
4-(3-bromo-2-fluorophenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136980800
2-ethyl-4-(5-fluoro-1-benzofuran-2-yl)-5-methyl-1H-pyrimidin-6-one
CID 136770193
2-tert-butyl-4-(4-fluoro-3-methylphenyl)-5-methyl-1H-pyrimidin-6-one
CID 136692082
N,2-diethyl-6-(3-fluoro-4-methylphenyl)-5-methylpyrimidin-4-amine
CID 115502727
2-ethyl-6-(3-fluoro-4-methylphenyl)-5-methyl-N-propylpyrimidin-4-amine
CID 115502692
4-(4-fluorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 135549350

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(3-fluoro-4-methylphenyl)-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(3-fluoro-4-methylphenyl)-5-methyl-1H-pyrimidin-6-one (CID 136769785) is 2-ethyl-4-(3-fluoro-4-methylphenyl)-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(3-fluoro-4-methylphenyl)-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(3-fluoro-4-methylphenyl)-5-methyl-1H-pyrimidin-6-one is CCc1nc(-c2ccc(C)c(F)c2)c(C)c(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(3-fluoro-4-methylphenyl)-5-methyl-1H-pyrimidin-6-one?
The InChIKey is FDDGXMNURPRRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-4-12-16-13(9(3)14(18)17-12)10-6-5-8(2)11(15)7-10/h5-7H,4H2,1-3H3,(H,16,17,18).
What are the key properties of 2-ethyl-4-(3-fluoro-4-methylphenyl)-5-methyl-1H-pyrimidin-6-one?
2-ethyl-4-(3-fluoro-4-methylphenyl)-5-methyl-1H-pyrimidin-6-one has a molecular weight of 246.28 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(3-fluoro-4-methylphenyl)-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136769785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).