2-(4-fluorophenyl)-4-methyl-1H-pyrimidin-6-one

C11H9FN2O — CID 135629608

IUPAC2-(4-fluorophenyl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-c2ccc(F)cc2)n1
InChIInChI=1S/C11H9FN2O/c1-7-6-10(15)14-11(13-7)8-2-4-9(12)5-3-8/h2-6H,1H3,(H,13,14,15)
InChIKeyDXNIKSZCYOCSOP-UHFFFAOYSA-N
MW204.20 g/mol
LogP1.88
Rot. Bonds1

About 2-(4-fluorophenyl)-4-methyl-1H-pyrimidin-6-one

2-(4-fluorophenyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135629608) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID135629608
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name2-(4-fluorophenyl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-c2ccc(F)cc2)n1
InChIInChI=1S/C11H9FN2O/c1-7-6-10(15)14-11(13-7)8-2-4-9(12)5-3-8/h2-6H,1H3,(H,13,14,15)
InChIKeyDXNIKSZCYOCSOP-UHFFFAOYSA-N
XLogP1.88
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(5-fluoro-2-methoxyphenyl)phenyl]-4-methyl-1H-pyrimidin-6-one
CID 137255591
4-methyl-2-(4-pyridin-4-ylphenyl)-1H-pyrimidin-6-one
CID 136993255
2-(2,6-dimethyl-4-pyridinyl)-4-methyl-1H-pyrimidin-6-one
CID 136773443
2-(3-bromo-4-methylphenyl)-4-methyl-1H-pyrimidin-6-one
CID 136701853
6-(4-methyl-6-oxo-1H-pyrimidin-2-yl)naphthalene-2-carboxylic acid
CID 135433531
4-methyl-2-[4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]-1H-pyrimidin-6-one
CID 137167982
4-methyl-2-[3-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one
CID 136860130
4-methyl-2-(6-methyl-2-pyridinyl)-1H-pyrimidin-6-one
CID 135741704
3-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)anilino]benzamide
CID 163313079
5-chloro-2-(4-fluorophenyl)-4-methyl-1H-pyrimidin-6-one
CID 136740674
4,6-dichloro-2-(4-fluorophenyl)pyrimidine;2-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 160836213
4-methyl-2-[4-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]phenyl]-1H-pyrimidin-6-one
CID 135906353

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-fluorophenyl)-4-methyl-1H-pyrimidin-6-one (CID 135629608) is 2-(4-fluorophenyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-fluorophenyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-fluorophenyl)-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is DXNIKSZCYOCSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O/c1-7-6-10(15)14-11(13-7)8-2-4-9(12)5-3-8/h2-6H,1H3,(H,13,14,15).
What are the key properties of 2-(4-fluorophenyl)-4-methyl-1H-pyrimidin-6-one?
2-(4-fluorophenyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 204.20 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135629608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).