1-benzyl-2-[2-(fluoromethyl)anilino]-5-methoxypyrimidin-4-one

C19H18FN3O2 — CID 134290987

IUPAC1-benzyl-2-[2-(fluoromethyl)anilino]-5-methoxypyrimidin-4-one
SMILESCOc1cn(Cc2ccccc2)c(Nc2ccccc2CF)nc1=O
InChIInChI=1S/C19H18FN3O2/c1-25-17-13-23(12-14-7-3-2-4-8-14)19(22-18(17)24)21-16-10-6-5-9-15(16)11-20/h2-10,13H,11-12H2,1H3,(H,21,22,24)
InChIKeyUQJWVQHALYEVFW-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.51
Rot. Bonds6

About 1-benzyl-2-[2-(fluoromethyl)anilino]-5-methoxypyrimidin-4-one

1-benzyl-2-[2-(fluoromethyl)anilino]-5-methoxypyrimidin-4-one (PubChem CID 134290987) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 1-benzyl-2-[2-(fluoromethyl)anilino]-5-methoxypyrimidin-4-one.

Molecular Properties

Compound Name1-benzyl-2-[2-(fluoromethyl)anilino]-5-methoxypyrimidin-4-one
PubChem CID134290987
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name1-benzyl-2-[2-(fluoromethyl)anilino]-5-methoxypyrimidin-4-one
SMILESCOc1cn(Cc2ccccc2)c(Nc2ccccc2CF)nc1=O
InChIInChI=1S/C19H18FN3O2/c1-25-17-13-23(12-14-7-3-2-4-8-14)19(22-18(17)24)21-16-10-6-5-9-15(16)11-20/h2-10,13H,11-12H2,1H3,(H,21,22,24)
InChIKeyUQJWVQHALYEVFW-UHFFFAOYSA-N
XLogP3.51
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-2-(2-fluoro-3-methylanilino)-5-methoxypyrimidin-4-one
CID 134291629
1-benzyl-5-methoxy-2-(2-phenoxyanilino)pyrimidin-4-one
CID 134290299
1-benzyl-2-(2-ethyl-5-methoxyanilino)-5-methoxypyrimidin-4-one
CID 134469215
5-[(1-benzyl-5-methoxy-4-oxopyrimidin-2-yl)amino]-1-methylquinolin-2-one
CID 134291388
1-benzyl-2-[5-(dihydroxyamino)-2-methylanilino]-5-methoxypyrimidin-4-one
CID 158183969
5-methoxy-2-(2-methylanilino)-1-[(3,4,5-trifluorophenyl)methyl]pyrimidin-4-one
CID 134291142
1-benzyl-2-[(2-fluorocyclohexa-1,3-dien-1-yl)amino]-5-methoxypyrimidin-4-one
CID 134290679
3-[(1-benzyl-5-methoxy-4-oxopyrimidin-2-yl)amino]-4-methylbenzamide
CID 134290313
1-benzyl-5-ethoxy-2-(4-methoxy-2,5-dimethylanilino)pyrimidin-4-one
CID 134290688
2-(5-chloro-2-ethylanilino)-1-[(3-chlorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 134290957
1-benzyl-2-[(2,5-dimethyl-1,3-benzothiazol-6-yl)amino]-5-methoxypyrimidin-4-one
CID 134291364
1-benzyl-5-methoxy-2-[(5-methyl-1H-indazol-6-yl)amino]pyrimidin-4-one
CID 134291274

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[2-(fluoromethyl)anilino]-5-methoxypyrimidin-4-one?
The IUPAC name of 1-benzyl-2-[2-(fluoromethyl)anilino]-5-methoxypyrimidin-4-one (CID 134290987) is 1-benzyl-2-[2-(fluoromethyl)anilino]-5-methoxypyrimidin-4-one.
What is the SMILES notation for 1-benzyl-2-[2-(fluoromethyl)anilino]-5-methoxypyrimidin-4-one?
The canonical SMILES for 1-benzyl-2-[2-(fluoromethyl)anilino]-5-methoxypyrimidin-4-one is COc1cn(Cc2ccccc2)c(Nc2ccccc2CF)nc1=O.
What is the InChIKey of 1-benzyl-2-[2-(fluoromethyl)anilino]-5-methoxypyrimidin-4-one?
The InChIKey is UQJWVQHALYEVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-25-17-13-23(12-14-7-3-2-4-8-14)19(22-18(17)24)21-16-10-6-5-9-15(16)11-20/h2-10,13H,11-12H2,1H3,(H,21,22,24).
What are the key properties of 1-benzyl-2-[2-(fluoromethyl)anilino]-5-methoxypyrimidin-4-one?
1-benzyl-2-[2-(fluoromethyl)anilino]-5-methoxypyrimidin-4-one has a molecular weight of 339.37 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[2-(fluoromethyl)anilino]-5-methoxypyrimidin-4-one is sourced from PubChem (CID 134290987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).