1-[(4-fluorophenyl)methyl]-5-methoxy-2-(2,4,5-trimethylanilino)pyrimidin-4-one

C21H22FN3O2 — CID 134290241

IUPAC1-[(4-fluorophenyl)methyl]-5-methoxy-2-(2,4,5-trimethylanilino)pyrimidin-4-one
SMILESCOc1cn(Cc2ccc(F)cc2)c(Nc2cc(C)c(C)cc2C)nc1=O
InChIInChI=1S/C21H22FN3O2/c1-13-9-15(3)18(10-14(13)2)23-21-24-20(26)19(27-4)12-25(21)11-16-5-7-17(22)8-6-16/h5-10,12H,11H2,1-4H3,(H,23,24,26)
InChIKeyZNZTWRKBKNIYSO-UHFFFAOYSA-N
MW367.42 g/mol
LogP4.11
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-5-methoxy-2-(2,4,5-trimethylanilino)pyrimidin-4-one

1-[(4-fluorophenyl)methyl]-5-methoxy-2-(2,4,5-trimethylanilino)pyrimidin-4-one (PubChem CID 134290241) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-5-methoxy-2-(2,4,5-trimethylanilino)pyrimidin-4-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-5-methoxy-2-(2,4,5-trimethylanilino)pyrimidin-4-one
PubChem CID134290241
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name1-[(4-fluorophenyl)methyl]-5-methoxy-2-(2,4,5-trimethylanilino)pyrimidin-4-one
SMILESCOc1cn(Cc2ccc(F)cc2)c(Nc2cc(C)c(C)cc2C)nc1=O
InChIInChI=1S/C21H22FN3O2/c1-13-9-15(3)18(10-14(13)2)23-21-24-20(26)19(27-4)12-25(21)11-16-5-7-17(22)8-6-16/h5-10,12H,11H2,1-4H3,(H,23,24,26)
InChIKeyZNZTWRKBKNIYSO-UHFFFAOYSA-N
XLogP4.11
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
1-Benzyl-2-(3-fluoro-2-methylanilino)-5-methoxypyrimidin-4-one
CID 134290315
1-[(3,5-Difluorophenyl)methyl]-5-methoxy-2-(2,4,5-trimethylanilino)pyrimidin-4-one
CID 134290322
1-[(3-Chloro-4-fluorophenyl)methyl]-5-methoxy-2-(2,4,5-trimethylanilino)pyrimidin-4-one
CID 134290334
5-Fluoro-1-[(4-fluorophenyl)methyl]-2-(2,4,5-trimethylanilino)pyrimidin-4-one
CID 134290343
1-[(3,4-Difluorophenyl)methyl]-2-(2,3-dimethylanilino)-5-methoxypyrimidin-4-one
CID 134290365
1-[(3,5-Difluorophenyl)methyl]-2-(4-fluoro-2,5-dimethylanilino)-5-methoxypyrimidin-4-one
CID 134290392
1-Benzyl-2-(4,5-difluoro-2-methylanilino)-5-methoxypyrimidin-4-one
CID 134290394
1-[(3,5-Difluorophenyl)methyl]-2-(2,3-dimethylanilino)-5-methoxypyrimidin-4-one
CID 134290398

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-5-methoxy-2-(2,4,5-trimethylanilino)pyrimidin-4-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-5-methoxy-2-(2,4,5-trimethylanilino)pyrimidin-4-one (CID 134290241) is 1-[(4-fluorophenyl)methyl]-5-methoxy-2-(2,4,5-trimethylanilino)pyrimidin-4-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-5-methoxy-2-(2,4,5-trimethylanilino)pyrimidin-4-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-5-methoxy-2-(2,4,5-trimethylanilino)pyrimidin-4-one is COc1cn(Cc2ccc(F)cc2)c(Nc2cc(C)c(C)cc2C)nc1=O.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-5-methoxy-2-(2,4,5-trimethylanilino)pyrimidin-4-one?
The InChIKey is ZNZTWRKBKNIYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-13-9-15(3)18(10-14(13)2)23-21-24-20(26)19(27-4)12-25(21)11-16-5-7-17(22)8-6-16/h5-10,12H,11H2,1-4H3,(H,23,24,26).
What are the key properties of 1-[(4-fluorophenyl)methyl]-5-methoxy-2-(2,4,5-trimethylanilino)pyrimidin-4-one?
1-[(4-fluorophenyl)methyl]-5-methoxy-2-(2,4,5-trimethylanilino)pyrimidin-4-one has a molecular weight of 367.42 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-5-methoxy-2-(2,4,5-trimethylanilino)pyrimidin-4-one is sourced from PubChem (CID 134290241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).