1-[(3,5-difluorophenyl)methyl]-5-methoxy-2-methylpyrimidin-4-one

C13H12F2N2O2 — CID 145173861

IUPAC1-[(3,5-difluorophenyl)methyl]-5-methoxy-2-methylpyrimidin-4-one
SMILESCOc1cn(Cc2cc(F)cc(F)c2)c(C)nc1=O
InChIInChI=1S/C13H12F2N2O2/c1-8-16-13(18)12(19-2)7-17(8)6-9-3-10(14)5-11(15)4-9/h3-5,7H,6H2,1-2H3
InChIKeyWZGQPCNIHZNNLL-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.89
Rot. Bonds3

About 1-[(3,5-difluorophenyl)methyl]-5-methoxy-2-methylpyrimidin-4-one

1-[(3,5-difluorophenyl)methyl]-5-methoxy-2-methylpyrimidin-4-one (PubChem CID 145173861) has the molecular formula C13H12F2N2O2 and a molecular weight of 266.25 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methyl]-5-methoxy-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methyl]-5-methoxy-2-methylpyrimidin-4-one
PubChem CID145173861
Molecular FormulaC13H12F2N2O2
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name1-[(3,5-difluorophenyl)methyl]-5-methoxy-2-methylpyrimidin-4-one
SMILESCOc1cn(Cc2cc(F)cc(F)c2)c(C)nc1=O
InChIInChI=1S/C13H12F2N2O2/c1-8-16-13(18)12(19-2)7-17(8)6-9-3-10(14)5-11(15)4-9/h3-5,7H,6H2,1-2H3
InChIKeyWZGQPCNIHZNNLL-UHFFFAOYSA-N
XLogP1.89
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluoro-3-methylphenyl)methyl]-5-methoxy-2-methylpyrimidin-4-one
CID 145174083
1-[(3,5-difluorophenyl)methyl]-2-(4-fluoro-5-methoxy-2-methylanilino)-5-methoxypyrimidin-4-one
CID 134290730
1-[(3,5-difluorophenyl)methyl]-2-(5-ethoxy-2,4-dimethylanilino)-5-methoxypyrimidin-4-one
CID 134291615
1-[(3,5-difluorophenyl)methyl]-5-methoxy-2-[2-methyl-3-(trifluoromethyl)anilino]pyrimidin-4-one
CID 134290491
1-[(3,5-difluorophenyl)methyl]-5-methoxy-2-[(2-methyl-1H-indol-4-yl)amino]pyrimidin-4-one
CID 145174010
1-[(3,5-difluorophenyl)methyl]-5-methoxy-2-[(7-methyl-3,4-dihydro-2H-chromen-6-yl)amino]pyrimidin-4-one
CID 134290941
1-[(3,5-difluorophenyl)methyl]-5-fluoro-2-[(6-fluoro-5-methoxy-2-methyl-3-pyridinyl)amino]pyrimidin-4-one
CID 134290902
1-[(3-chloro-5-fluorophenyl)methyl]-2-[5-(difluoromethoxy)-2,4-dimethylanilino]-5-methoxypyrimidin-4-one
CID 134290696
2-(3-chloro-2-methylanilino)-1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methoxypyrimidin-4-one
CID 134291536
N-butyl-N-[3-[[1-[(3,5-difluorophenyl)methyl]-5-methoxy-4-oxopyrimidin-2-yl]amino]-4-methylphenyl]formamide
CID 134290918
5-methoxy-2-(2-methylanilino)-1-[(3,4,5-trifluorophenyl)methyl]pyrimidin-4-one
CID 134291142
1-[(3-fluorophenyl)methyl]-5-methoxy-2-(4-methoxy-2-methylanilino)pyrimidin-4-one
CID 134290575

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methyl]-5-methoxy-2-methylpyrimidin-4-one?
The IUPAC name of 1-[(3,5-difluorophenyl)methyl]-5-methoxy-2-methylpyrimidin-4-one (CID 145173861) is 1-[(3,5-difluorophenyl)methyl]-5-methoxy-2-methylpyrimidin-4-one.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methyl]-5-methoxy-2-methylpyrimidin-4-one?
The canonical SMILES for 1-[(3,5-difluorophenyl)methyl]-5-methoxy-2-methylpyrimidin-4-one is COc1cn(Cc2cc(F)cc(F)c2)c(C)nc1=O.
What is the InChIKey of 1-[(3,5-difluorophenyl)methyl]-5-methoxy-2-methylpyrimidin-4-one?
The InChIKey is WZGQPCNIHZNNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2/c1-8-16-13(18)12(19-2)7-17(8)6-9-3-10(14)5-11(15)4-9/h3-5,7H,6H2,1-2H3.
What are the key properties of 1-[(3,5-difluorophenyl)methyl]-5-methoxy-2-methylpyrimidin-4-one?
1-[(3,5-difluorophenyl)methyl]-5-methoxy-2-methylpyrimidin-4-one has a molecular weight of 266.25 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluorophenyl)methyl]-5-methoxy-2-methylpyrimidin-4-one is sourced from PubChem (CID 145173861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).