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

C20H19F2N3O — CID 134290343

IUPAC5-fluoro-1-[(4-fluorophenyl)methyl]-2-(2,4,5-trimethylanilino)pyrimidin-4-one
SMILESCc1cc(C)c(Nc2nc(=O)c(F)cn2Cc2ccc(F)cc2)cc1C
InChIInChI=1S/C20H19F2N3O/c1-12-8-14(3)18(9-13(12)2)23-20-24-19(26)17(22)11-25(20)10-15-4-6-16(21)7-5-15/h4-9,11H,10H2,1-3H3,(H,23,24,26)
InChIKeyBBDWVCMSYPVMBR-UHFFFAOYSA-N
MW355.39 g/mol
LogP4.24
Rot. Bonds4

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

5-fluoro-1-[(4-fluorophenyl)methyl]-2-(2,4,5-trimethylanilino)pyrimidin-4-one (PubChem CID 134290343) has the molecular formula C20H19F2N3O and a molecular weight of 355.39 g/mol. Its IUPAC name is 5-fluoro-1-[(4-fluorophenyl)methyl]-2-(2,4,5-trimethylanilino)pyrimidin-4-one.

Molecular Properties

Compound Name5-fluoro-1-[(4-fluorophenyl)methyl]-2-(2,4,5-trimethylanilino)pyrimidin-4-one
PubChem CID134290343
Molecular FormulaC20H19F2N3O
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name5-fluoro-1-[(4-fluorophenyl)methyl]-2-(2,4,5-trimethylanilino)pyrimidin-4-one
SMILESCc1cc(C)c(Nc2nc(=O)c(F)cn2Cc2ccc(F)cc2)cc1C
InChIInChI=1S/C20H19F2N3O/c1-12-8-14(3)18(9-13(12)2)23-20-24-19(26)17(22)11-25(20)10-15-4-6-16(21)7-5-15/h4-9,11H,10H2,1-3H3,(H,23,24,26)
InChIKeyBBDWVCMSYPVMBR-UHFFFAOYSA-N
XLogP4.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
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
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
1-[(3,4-Difluorophenyl)methyl]-2-(2,3-dimethylanilino)-5-methoxypyrimidin-4-one
CID 134290365
1-Benzyl-2-(2,6-dimethylanilino)-5-fluoropyrimidin-4-one
CID 134290370
1-[(3,5-Difluorophenyl)methyl]-2-(4-fluoro-2,5-dimethylanilino)-5-methoxypyrimidin-4-one
CID 134290392
1-[(3,5-Difluorophenyl)methyl]-2-(2,3-dimethylanilino)-5-methoxypyrimidin-4-one
CID 134290398
2-(4-Fluoro-2,5-dimethylanilino)-1-[(3-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 134290438

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(4-fluorophenyl)methyl]-2-(2,4,5-trimethylanilino)pyrimidin-4-one?
The IUPAC name of 5-fluoro-1-[(4-fluorophenyl)methyl]-2-(2,4,5-trimethylanilino)pyrimidin-4-one (CID 134290343) is 5-fluoro-1-[(4-fluorophenyl)methyl]-2-(2,4,5-trimethylanilino)pyrimidin-4-one.
What is the SMILES notation for 5-fluoro-1-[(4-fluorophenyl)methyl]-2-(2,4,5-trimethylanilino)pyrimidin-4-one?
The canonical SMILES for 5-fluoro-1-[(4-fluorophenyl)methyl]-2-(2,4,5-trimethylanilino)pyrimidin-4-one is Cc1cc(C)c(Nc2nc(=O)c(F)cn2Cc2ccc(F)cc2)cc1C.
What is the InChIKey of 5-fluoro-1-[(4-fluorophenyl)methyl]-2-(2,4,5-trimethylanilino)pyrimidin-4-one?
The InChIKey is BBDWVCMSYPVMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O/c1-12-8-14(3)18(9-13(12)2)23-20-24-19(26)17(22)11-25(20)10-15-4-6-16(21)7-5-15/h4-9,11H,10H2,1-3H3,(H,23,24,26).
What are the key properties of 5-fluoro-1-[(4-fluorophenyl)methyl]-2-(2,4,5-trimethylanilino)pyrimidin-4-one?
5-fluoro-1-[(4-fluorophenyl)methyl]-2-(2,4,5-trimethylanilino)pyrimidin-4-one has a molecular weight of 355.39 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(4-fluorophenyl)methyl]-2-(2,4,5-trimethylanilino)pyrimidin-4-one is sourced from PubChem (CID 134290343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).