1-[(3,4-difluorophenyl)methyl]-2-(2,3-dimethylanilino)-5-methoxypyrimidin-4-one

C20H19F2N3O2 — CID 134290365

IUPAC1-[(3,4-difluorophenyl)methyl]-2-(2,3-dimethylanilino)-5-methoxypyrimidin-4-one
SMILESCOc1cn(Cc2ccc(F)c(F)c2)c(Nc2cccc(C)c2C)nc1=O
InChIInChI=1S/C20H19F2N3O2/c1-12-5-4-6-17(13(12)2)23-20-24-19(26)18(27-3)11-25(20)10-14-7-8-15(21)16(22)9-14/h4-9,11H,10H2,1-3H3,(H,23,24,26)
InChIKeyCQBYGHPYZQQKEH-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.94
Rot. Bonds5

About 1-[(3,4-difluorophenyl)methyl]-2-(2,3-dimethylanilino)-5-methoxypyrimidin-4-one

1-[(3,4-difluorophenyl)methyl]-2-(2,3-dimethylanilino)-5-methoxypyrimidin-4-one (PubChem CID 134290365) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-2-(2,3-dimethylanilino)-5-methoxypyrimidin-4-one.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-2-(2,3-dimethylanilino)-5-methoxypyrimidin-4-one
PubChem CID134290365
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name1-[(3,4-difluorophenyl)methyl]-2-(2,3-dimethylanilino)-5-methoxypyrimidin-4-one
SMILESCOc1cn(Cc2ccc(F)c(F)c2)c(Nc2cccc(C)c2C)nc1=O
InChIInChI=1S/C20H19F2N3O2/c1-12-5-4-6-17(13(12)2)23-20-24-19(26)18(27-3)11-25(20)10-14-7-8-15(21)16(22)9-14/h4-9,11H,10H2,1-3H3,(H,23,24,26)
InChIKeyCQBYGHPYZQQKEH-UHFFFAOYSA-N
XLogP3.94
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-Chloro-3-(trifluoromethyl)anilino]-5-methoxy-1-[(2-methylphenyl)methyl]pyrimidin-4-one
CID 134290160
1-Benzyl-2-[2-chloro-3-(trifluoromethyl)anilino]-5-methoxypyrimidin-4-one
CID 134290165
2-(3-Chloro-2-methylanilino)-1-[(3-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 134290196
2-[2-Chloro-3-(trifluoromethyl)anilino]-1-[(4-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 134290204
2-(3-Chloro-2-methylanilino)-1-[(3,4-difluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 134290228
1-[(4-Fluorophenyl)methyl]-5-methoxy-2-(2,4,5-trimethylanilino)pyrimidin-4-one
CID 134290241
2-(2,3-Dimethylanilino)-5-fluoro-1-[(4-fluorophenyl)methyl]pyrimidin-4-one
CID 134290243
2-(2,3-Dimethylanilino)-1-[(4-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 134290253
5-Fluoro-2-(5-fluoro-2-methylanilino)-1-[(3,4,5-trifluorophenyl)methyl]pyrimidin-4-one
CID 134290256
2-(2-Ethylanilino)-1-[(4-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 134290260
1-[(3-Chloro-4-fluorophenyl)methyl]-2-(2,5-dimethylanilino)-5-methoxypyrimidin-4-one
CID 134290287
2-(3-Chloro-2-methylanilino)-1-[(2-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 134290302

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-2-(2,3-dimethylanilino)-5-methoxypyrimidin-4-one?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-2-(2,3-dimethylanilino)-5-methoxypyrimidin-4-one (CID 134290365) is 1-[(3,4-difluorophenyl)methyl]-2-(2,3-dimethylanilino)-5-methoxypyrimidin-4-one.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-2-(2,3-dimethylanilino)-5-methoxypyrimidin-4-one?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-2-(2,3-dimethylanilino)-5-methoxypyrimidin-4-one is COc1cn(Cc2ccc(F)c(F)c2)c(Nc2cccc(C)c2C)nc1=O.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-2-(2,3-dimethylanilino)-5-methoxypyrimidin-4-one?
The InChIKey is CQBYGHPYZQQKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c1-12-5-4-6-17(13(12)2)23-20-24-19(26)18(27-3)11-25(20)10-14-7-8-15(21)16(22)9-14/h4-9,11H,10H2,1-3H3,(H,23,24,26).
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-2-(2,3-dimethylanilino)-5-methoxypyrimidin-4-one?
1-[(3,4-difluorophenyl)methyl]-2-(2,3-dimethylanilino)-5-methoxypyrimidin-4-one has a molecular weight of 371.39 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-2-(2,3-dimethylanilino)-5-methoxypyrimidin-4-one is sourced from PubChem (CID 134290365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).