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

C20H19F2N3O2 — CID 134290451

IUPAC1-[(3,5-difluorophenyl)methyl]-2-(2,4-dimethylanilino)-5-methoxypyrimidin-4-one
SMILESCOc1cn(Cc2cc(F)cc(F)c2)c(Nc2ccc(C)cc2C)nc1=O
InChIInChI=1S/C20H19F2N3O2/c1-12-4-5-17(13(2)6-12)23-20-24-19(26)18(27-3)11-25(20)10-14-7-15(21)9-16(22)8-14/h4-9,11H,10H2,1-3H3,(H,23,24,26)
InChIKeyONQSADLCEJKEPX-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.94
Rot. Bonds5

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

1-[(3,5-difluorophenyl)methyl]-2-(2,4-dimethylanilino)-5-methoxypyrimidin-4-one (PubChem CID 134290451) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methyl]-2-(2,4-dimethylanilino)-5-methoxypyrimidin-4-one.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methyl]-2-(2,4-dimethylanilino)-5-methoxypyrimidin-4-one
PubChem CID134290451
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name1-[(3,5-difluorophenyl)methyl]-2-(2,4-dimethylanilino)-5-methoxypyrimidin-4-one
SMILESCOc1cn(Cc2cc(F)cc(F)c2)c(Nc2ccc(C)cc2C)nc1=O
InChIInChI=1S/C20H19F2N3O2/c1-12-4-5-17(13(2)6-12)23-20-24-19(26)18(27-3)11-25(20)10-14-7-15(21)9-16(22)8-14/h4-9,11H,10H2,1-3H3,(H,23,24,26)
InChIKeyONQSADLCEJKEPX-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2,4-dimethylphenyl)amino]-4-(4-fluorophenyl)-8-methyl-1,4-dihydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
CID 4890321
2-(3-Chloro-2-methylanilino)-1-[(3-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 134290196
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-Benzyl-2-(3-chloro-2-methylanilino)-5-(2,2,2-trifluoroethoxy)pyrimidin-4-one
CID 134290269
2-(3-Chloro-2-methylanilino)-5-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-one
CID 134290274
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-[(3,5-difluorophenyl)methyl]-2-(2,4-dimethylanilino)-5-methoxypyrimidin-4-one?
The IUPAC name of 1-[(3,5-difluorophenyl)methyl]-2-(2,4-dimethylanilino)-5-methoxypyrimidin-4-one (CID 134290451) is 1-[(3,5-difluorophenyl)methyl]-2-(2,4-dimethylanilino)-5-methoxypyrimidin-4-one.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methyl]-2-(2,4-dimethylanilino)-5-methoxypyrimidin-4-one?
The canonical SMILES for 1-[(3,5-difluorophenyl)methyl]-2-(2,4-dimethylanilino)-5-methoxypyrimidin-4-one is COc1cn(Cc2cc(F)cc(F)c2)c(Nc2ccc(C)cc2C)nc1=O.
What is the InChIKey of 1-[(3,5-difluorophenyl)methyl]-2-(2,4-dimethylanilino)-5-methoxypyrimidin-4-one?
The InChIKey is ONQSADLCEJKEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c1-12-4-5-17(13(2)6-12)23-20-24-19(26)18(27-3)11-25(20)10-14-7-15(21)9-16(22)8-14/h4-9,11H,10H2,1-3H3,(H,23,24,26).
What are the key properties of 1-[(3,5-difluorophenyl)methyl]-2-(2,4-dimethylanilino)-5-methoxypyrimidin-4-one?
1-[(3,5-difluorophenyl)methyl]-2-(2,4-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-[(3,5-difluorophenyl)methyl]-2-(2,4-dimethylanilino)-5-methoxypyrimidin-4-one is sourced from PubChem (CID 134290451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).