4-(2-fluorophenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one

C14H15FN2O — CID 136692391

IUPAC4-(2-fluorophenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1c(-c2ccccc2F)nc(C(C)C)[nH]c1=O
InChIInChI=1S/C14H15FN2O/c1-8(2)13-16-12(9(3)14(18)17-13)10-6-4-5-7-11(10)15/h4-8H,1-3H3,(H,16,17,18)
InChIKeyCECDENOFDFCMMY-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.01
Rot. Bonds2

About 4-(2-fluorophenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one

4-(2-fluorophenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136692391) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-fluorophenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136692391
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name4-(2-fluorophenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1c(-c2ccccc2F)nc(C(C)C)[nH]c1=O
InChIInChI=1S/C14H15FN2O/c1-8(2)13-16-12(9(3)14(18)17-13)10-6-4-5-7-11(10)15/h4-8H,1-3H3,(H,16,17,18)
InChIKeyCECDENOFDFCMMY-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-fluoro-3-methoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136769851
4-(2-fluorophenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136883194
4-(3-fluoro-2-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136769751
4-(3,5-dimethylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136691706
5-methyl-2-propan-2-yl-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 136769311
2-(1-chloroethyl)-6-(2-fluorophenyl)-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 114832502
1-[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutan-1-amine
CID 112679312
4-ethyl-2-(2-fluorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 136668750
6-(2-fluorophenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80975357
2-(1-ethoxyethyl)-5-(2-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79439915
3-fluoro-5-(5-methyl-6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)benzonitrile
CID 136769392
5-methyl-2-propan-2-yl-4-(3-propylphenyl)-1H-pyrimidin-6-one
CID 136770243

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-fluorophenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one (CID 136692391) is 4-(2-fluorophenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-fluorophenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-fluorophenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one is Cc1c(-c2ccccc2F)nc(C(C)C)[nH]c1=O.
What is the InChIKey of 4-(2-fluorophenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is CECDENOFDFCMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-8(2)13-16-12(9(3)14(18)17-13)10-6-4-5-7-11(10)15/h4-8H,1-3H3,(H,16,17,18).
What are the key properties of 4-(2-fluorophenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
4-(2-fluorophenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 246.28 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136692391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).