1-[(3-chlorophenyl)methyl]-5-fluoro-2-methylpyrimidin-4-one

C12H10ClFN2O — CID 145173694

IUPAC1-[(3-chlorophenyl)methyl]-5-fluoro-2-methylpyrimidin-4-one
SMILESCc1nc(=O)c(F)cn1Cc1cccc(Cl)c1
InChIInChI=1S/C12H10ClFN2O/c1-8-15-12(17)11(14)7-16(8)6-9-3-2-4-10(13)5-9/h2-5,7H,6H2,1H3
InChIKeySOXHKDBHAGOPRG-UHFFFAOYSA-N
MW252.68 g/mol
LogP2.39
Rot. Bonds2

About 1-[(3-chlorophenyl)methyl]-5-fluoro-2-methylpyrimidin-4-one

1-[(3-chlorophenyl)methyl]-5-fluoro-2-methylpyrimidin-4-one (PubChem CID 145173694) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-5-fluoro-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-5-fluoro-2-methylpyrimidin-4-one
PubChem CID145173694
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Name1-[(3-chlorophenyl)methyl]-5-fluoro-2-methylpyrimidin-4-one
SMILESCc1nc(=O)c(F)cn1Cc1cccc(Cl)c1
InChIInChI=1S/C12H10ClFN2O/c1-8-15-12(17)11(14)7-16(8)6-9-3-2-4-10(13)5-9/h2-5,7H,6H2,1H3
InChIKeySOXHKDBHAGOPRG-UHFFFAOYSA-N
XLogP2.39
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chlorophenyl)methyl]-2-methylimidazole-4-sulfonamide
CID 81340365
1-[(3-chlorophenyl)methyl]-5-fluoro-2-(4-methoxy-2,5-dimethylanilino)pyrimidin-4-one
CID 134290458
1-benzyl-5-chloro-2-methylpyrimidin-4-one
CID 145173710
3-[(3-chlorophenyl)methyl]-5-iodo-6-methylpyrimidin-4-one
CID 66339985
2-amino-1-[(3-chlorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 145173518
1-benzyl-2-[2-chloro-3-(trifluoromethyl)phenyl]-5-fluoropyrimidin-4-one
CID 134565323
1-[(3-chlorophenyl)methyl]-4,5-dimethylimidazole
CID 115624826
1-benzyl-4-(2,5-difluorophenyl)-2-methylimidazole
CID 123736359
1-[(4-chloro-2-fluorophenyl)methyl]-2-methylimidazole-4-sulfonyl chloride
CID 114857558
5-chloro-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxylic acid
CID 2764356
2-(5-chloro-2-ethylanilino)-5-fluoro-1-[(3,4,5-trifluorophenyl)methyl]pyrimidin-4-one
CID 134291467
ethyl 1-[(3-chlorophenyl)methyl]-6,7,8-trifluoro-4-oxoquinoline-3-carboxylate
CID 10834539

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-5-fluoro-2-methylpyrimidin-4-one?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-5-fluoro-2-methylpyrimidin-4-one (CID 145173694) is 1-[(3-chlorophenyl)methyl]-5-fluoro-2-methylpyrimidin-4-one.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-5-fluoro-2-methylpyrimidin-4-one?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-5-fluoro-2-methylpyrimidin-4-one is Cc1nc(=O)c(F)cn1Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-5-fluoro-2-methylpyrimidin-4-one?
The InChIKey is SOXHKDBHAGOPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c1-8-15-12(17)11(14)7-16(8)6-9-3-2-4-10(13)5-9/h2-5,7H,6H2,1H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-5-fluoro-2-methylpyrimidin-4-one?
1-[(3-chlorophenyl)methyl]-5-fluoro-2-methylpyrimidin-4-one has a molecular weight of 252.68 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-5-fluoro-2-methylpyrimidin-4-one is sourced from PubChem (CID 145173694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).