5-fluoro-4-[(2-fluorophenyl)methylamino]-1-(1-phenylethenyl)pyrimidin-2-one

C19H15F2N3O — CID 58166434

IUPAC5-fluoro-4-[(2-fluorophenyl)methylamino]-1-(1-phenylethenyl)pyrimidin-2-one
SMILESC=C(c1ccccc1)n1cc(F)c(NCc2ccccc2F)nc1=O
InChIInChI=1S/C19H15F2N3O/c1-13(14-7-3-2-4-8-14)24-12-17(21)18(23-19(24)25)22-11-15-9-5-6-10-16(15)20/h2-10,12H,1,11H2,(H,22,23,25)
InChIKeyRFVGNTICARADMP-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.65
Rot. Bonds5

About 5-fluoro-4-[(2-fluorophenyl)methylamino]-1-(1-phenylethenyl)pyrimidin-2-one

5-fluoro-4-[(2-fluorophenyl)methylamino]-1-(1-phenylethenyl)pyrimidin-2-one (PubChem CID 58166434) has the molecular formula C19H15F2N3O and a molecular weight of 339.35 g/mol. Its IUPAC name is 5-fluoro-4-[(2-fluorophenyl)methylamino]-1-(1-phenylethenyl)pyrimidin-2-one.

Molecular Properties

Compound Name5-fluoro-4-[(2-fluorophenyl)methylamino]-1-(1-phenylethenyl)pyrimidin-2-one
PubChem CID58166434
Molecular FormulaC19H15F2N3O
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name5-fluoro-4-[(2-fluorophenyl)methylamino]-1-(1-phenylethenyl)pyrimidin-2-one
SMILESC=C(c1ccccc1)n1cc(F)c(NCc2ccccc2F)nc1=O
InChIInChI=1S/C19H15F2N3O/c1-13(14-7-3-2-4-8-14)24-12-17(21)18(23-19(24)25)22-11-15-9-5-6-10-16(15)20/h2-10,12H,1,11H2,(H,22,23,25)
InChIKeyRFVGNTICARADMP-UHFFFAOYSA-N
XLogP3.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Benzylamino)pyrido[1,2-a]pyrimidin-4-one
CID 2314144
1-Benzyl-5-methyl-4-(octylamino)-1,2-dihydropyrimidin-2-one
CID 154040010
1-Benzyl-5-methyl-4-(3-methylbutylamino)pyrimidin-2-one
CID 155557231
1,9-Dibenzylpurin-2-one
CID 44368985
5-Methyl-4-(octylamino)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-one
CID 147330615
1-Benzyl-4-(decylamino)-5-methylpyrimidin-2-one
CID 148339851
1-Benzyl-4-(butan-2-ylamino)-5-methylpyrimidin-2-one
CID 155515630
1-Benzyl-4-[3-(dimethylamino)propylamino]-5-methylpyrimidin-2-one
CID 155536855
1-Benzyl-4-(cyclopentylamino)-5-methylpyrimidin-2-one
CID 155538095
1-Benzyl-4-(benzylamino)-5-methylpyrimidin-2-one
CID 155560175
1,9-Dibenzyl-6-(trifluoromethyl)purin-2-one
CID 44368675
4-Amino-1-[3-[(1-benzylpiperidin-4-yl)amino]propyl]pyrimidin-2-one
CID 46903646

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[(2-fluorophenyl)methylamino]-1-(1-phenylethenyl)pyrimidin-2-one?
The IUPAC name of 5-fluoro-4-[(2-fluorophenyl)methylamino]-1-(1-phenylethenyl)pyrimidin-2-one (CID 58166434) is 5-fluoro-4-[(2-fluorophenyl)methylamino]-1-(1-phenylethenyl)pyrimidin-2-one.
What is the SMILES notation for 5-fluoro-4-[(2-fluorophenyl)methylamino]-1-(1-phenylethenyl)pyrimidin-2-one?
The canonical SMILES for 5-fluoro-4-[(2-fluorophenyl)methylamino]-1-(1-phenylethenyl)pyrimidin-2-one is C=C(c1ccccc1)n1cc(F)c(NCc2ccccc2F)nc1=O.
What is the InChIKey of 5-fluoro-4-[(2-fluorophenyl)methylamino]-1-(1-phenylethenyl)pyrimidin-2-one?
The InChIKey is RFVGNTICARADMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O/c1-13(14-7-3-2-4-8-14)24-12-17(21)18(23-19(24)25)22-11-15-9-5-6-10-16(15)20/h2-10,12H,1,11H2,(H,22,23,25).
What are the key properties of 5-fluoro-4-[(2-fluorophenyl)methylamino]-1-(1-phenylethenyl)pyrimidin-2-one?
5-fluoro-4-[(2-fluorophenyl)methylamino]-1-(1-phenylethenyl)pyrimidin-2-one has a molecular weight of 339.35 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[(2-fluorophenyl)methylamino]-1-(1-phenylethenyl)pyrimidin-2-one is sourced from PubChem (CID 58166434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).