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

C14H15FN2O2 — CID 145174083

IUPAC1-[(4-fluoro-3-methylphenyl)methyl]-5-methoxy-2-methylpyrimidin-4-one
SMILESCOc1cn(Cc2ccc(F)c(C)c2)c(C)nc1=O
InChIInChI=1S/C14H15FN2O2/c1-9-6-11(4-5-12(9)15)7-17-8-13(19-3)14(18)16-10(17)2/h4-6,8H,7H2,1-3H3
InChIKeyFCZSXVLQOLQOON-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.06
Rot. Bonds3

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

1-[(4-fluoro-3-methylphenyl)methyl]-5-methoxy-2-methylpyrimidin-4-one (PubChem CID 145174083) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 1-[(4-fluoro-3-methylphenyl)methyl]-5-methoxy-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name1-[(4-fluoro-3-methylphenyl)methyl]-5-methoxy-2-methylpyrimidin-4-one
PubChem CID145174083
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name1-[(4-fluoro-3-methylphenyl)methyl]-5-methoxy-2-methylpyrimidin-4-one
SMILESCOc1cn(Cc2ccc(F)c(C)c2)c(C)nc1=O
InChIInChI=1S/C14H15FN2O2/c1-9-6-11(4-5-12(9)15)7-17-8-13(19-3)14(18)16-10(17)2/h4-6,8H,7H2,1-3H3
InChIKeyFCZSXVLQOLQOON-UHFFFAOYSA-N
XLogP2.06
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,5-difluorophenyl)methyl]-5-methoxy-2-methylpyrimidin-4-one
CID 145173861
1-[(4-fluoro-3-methylphenyl)methyl]-5-methoxy-2-(5-methoxy-2-methylanilino)pyrimidin-4-one
CID 134464278
1-[(3-chloro-4-fluorophenyl)methyl]-2-(4,5-dimethoxy-2-methylanilino)-5-methoxypyrimidin-4-one
CID 134290266
1-[(3-chloro-4-fluorophenyl)methyl]-2-(2-fluoro-3,6-dimethylanilino)-5-methoxypyrimidin-4-one
CID 134469251
2-(4-chloro-2,5-dimethylanilino)-1-[(3,4-difluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 134290631
1-[(3-chloro-4-fluorophenyl)methyl]-2-(5-fluoro-4-methoxy-2-methylanilino)-5-methoxypyrimidin-4-one
CID 134290710
1-[(3-chloro-4-fluorophenyl)methyl]-2-(2,4-dimethylanilino)-5-methoxypyrimidin-4-one
CID 134290928
1-[(3,4-difluorophenyl)methyl]-2-[(2,5-dimethyl-1,3-benzothiazol-6-yl)amino]-5-methoxypyrimidin-4-one
CID 134291028
1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole-4-carboxylic acid
CID 82301544
1-[(3,4-difluorophenyl)methyl]-2-(2,3-dimethyl-5-methylsulfonylanilino)-5-methoxypyrimidin-4-one
CID 134290641
1-[(3-chlorophenyl)methyl]-5-fluoro-2-methylpyrimidin-4-one
CID 145173694
1-[(3,4-difluorophenyl)methyl]-2-[5-(2-hydroxypropan-2-yl)-2-methylanilino]-5-methoxypyrimidin-4-one
CID 134290798

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-3-methylphenyl)methyl]-5-methoxy-2-methylpyrimidin-4-one?
The IUPAC name of 1-[(4-fluoro-3-methylphenyl)methyl]-5-methoxy-2-methylpyrimidin-4-one (CID 145174083) is 1-[(4-fluoro-3-methylphenyl)methyl]-5-methoxy-2-methylpyrimidin-4-one.
What is the SMILES notation for 1-[(4-fluoro-3-methylphenyl)methyl]-5-methoxy-2-methylpyrimidin-4-one?
The canonical SMILES for 1-[(4-fluoro-3-methylphenyl)methyl]-5-methoxy-2-methylpyrimidin-4-one is COc1cn(Cc2ccc(F)c(C)c2)c(C)nc1=O.
What is the InChIKey of 1-[(4-fluoro-3-methylphenyl)methyl]-5-methoxy-2-methylpyrimidin-4-one?
The InChIKey is FCZSXVLQOLQOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-9-6-11(4-5-12(9)15)7-17-8-13(19-3)14(18)16-10(17)2/h4-6,8H,7H2,1-3H3.
What are the key properties of 1-[(4-fluoro-3-methylphenyl)methyl]-5-methoxy-2-methylpyrimidin-4-one?
1-[(4-fluoro-3-methylphenyl)methyl]-5-methoxy-2-methylpyrimidin-4-one has a molecular weight of 262.28 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-3-methylphenyl)methyl]-5-methoxy-2-methylpyrimidin-4-one is sourced from PubChem (CID 145174083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).