1-[(3-chlorophenyl)methyl]-5-fluoro-2-(4-methoxy-2,5-dimethylanilino)pyrimidin-4-one

C20H19ClFN3O2 — CID 134290458

IUPAC1-[(3-chlorophenyl)methyl]-5-fluoro-2-(4-methoxy-2,5-dimethylanilino)pyrimidin-4-one
SMILESCOc1cc(C)c(Nc2nc(=O)c(F)cn2Cc2cccc(Cl)c2)cc1C
InChIInChI=1S/C20H19ClFN3O2/c1-12-8-18(27-3)13(2)7-17(12)23-20-24-19(26)16(22)11-25(20)10-14-5-4-6-15(21)9-14/h4-9,11H,10H2,1-3H3,(H,23,24,26)
InChIKeyVWBAQTOXQMKOCI-UHFFFAOYSA-N
MW387.84 g/mol
LogP4.45
Rot. Bonds5

About 1-[(3-chlorophenyl)methyl]-5-fluoro-2-(4-methoxy-2,5-dimethylanilino)pyrimidin-4-one

1-[(3-chlorophenyl)methyl]-5-fluoro-2-(4-methoxy-2,5-dimethylanilino)pyrimidin-4-one (PubChem CID 134290458) has the molecular formula C20H19ClFN3O2 and a molecular weight of 387.84 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-5-fluoro-2-(4-methoxy-2,5-dimethylanilino)pyrimidin-4-one.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-5-fluoro-2-(4-methoxy-2,5-dimethylanilino)pyrimidin-4-one
PubChem CID134290458
Molecular FormulaC20H19ClFN3O2
Molecular Weight387.84 g/mol
Exact Mass387.11
IUPAC Name1-[(3-chlorophenyl)methyl]-5-fluoro-2-(4-methoxy-2,5-dimethylanilino)pyrimidin-4-one
SMILESCOc1cc(C)c(Nc2nc(=O)c(F)cn2Cc2cccc(Cl)c2)cc1C
InChIInChI=1S/C20H19ClFN3O2/c1-12-8-18(27-3)13(2)7-17(12)23-20-24-19(26)16(22)11-25(20)10-14-5-4-6-15(21)9-14/h4-9,11H,10H2,1-3H3,(H,23,24,26)
InChIKeyVWBAQTOXQMKOCI-UHFFFAOYSA-N
XLogP4.45
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.84
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(3-chlorophenyl)methyl]-5-fluoro-2-(4-methoxy-2,5-dimethylanilino)pyrimidin-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

1-[(3-chloro-4-fluorophenyl)methyl]-2-(4,5-dimethoxy-2-methylanilino)-5-methoxypyrimidin-4-one
CID 134290266
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
2-(4-chloro-5-methoxy-2-methylanilino)-5-fluoro-1-[(3,4,5-trifluorophenyl)methyl]pyrimidin-4-one
CID 134291008
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-[(3-chloro-4-fluorophenyl)methyl]-2-(4-ethoxy-5-fluoro-2-methylanilino)-5-fluoropyrimidin-4-one
CID 134291033
1-[(3,4-difluorophenyl)methyl]-2-(4-methoxy-2,5-dimethylanilino)-4-oxopyrimidine-5-carboxamide
CID 134291171
1-[(3-chloro-4-fluorophenyl)methyl]-2-(5-ethoxy-2,4-dimethylanilino)-5-methoxypyrimidin-4-one
CID 134290809
1-[(3-chlorophenyl)methyl]-5-fluoro-2-methylpyrimidin-4-one
CID 145173694
5-fluoro-2-(4-fluoro-5-methoxy-2-methylanilino)-1-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-4-one
CID 134464286
1-[(3-chloro-4-fluorophenyl)methyl]-2-(2,4-dimethylanilino)-5-methoxypyrimidin-4-one
CID 134290928

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-5-fluoro-2-(4-methoxy-2,5-dimethylanilino)pyrimidin-4-one?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-5-fluoro-2-(4-methoxy-2,5-dimethylanilino)pyrimidin-4-one (CID 134290458) is 1-[(3-chlorophenyl)methyl]-5-fluoro-2-(4-methoxy-2,5-dimethylanilino)pyrimidin-4-one.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-5-fluoro-2-(4-methoxy-2,5-dimethylanilino)pyrimidin-4-one?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-5-fluoro-2-(4-methoxy-2,5-dimethylanilino)pyrimidin-4-one is COc1cc(C)c(Nc2nc(=O)c(F)cn2Cc2cccc(Cl)c2)cc1C.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-5-fluoro-2-(4-methoxy-2,5-dimethylanilino)pyrimidin-4-one?
The InChIKey is VWBAQTOXQMKOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O2/c1-12-8-18(27-3)13(2)7-17(12)23-20-24-19(26)16(22)11-25(20)10-14-5-4-6-15(21)9-14/h4-9,11H,10H2,1-3H3,(H,23,24,26).
What are the key properties of 1-[(3-chlorophenyl)methyl]-5-fluoro-2-(4-methoxy-2,5-dimethylanilino)pyrimidin-4-one?
1-[(3-chlorophenyl)methyl]-5-fluoro-2-(4-methoxy-2,5-dimethylanilino)pyrimidin-4-one has a molecular weight of 387.84 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-5-fluoro-2-(4-methoxy-2,5-dimethylanilino)pyrimidin-4-one is sourced from PubChem (CID 134290458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).