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

C13H11F2N3O — CID 58166493

IUPAC1-ethenyl-5-fluoro-4-[(2-fluorophenyl)methylamino]pyrimidin-2-one
SMILESC=Cn1cc(F)c(NCc2ccccc2F)nc1=O
InChIInChI=1S/C13H11F2N3O/c1-2-18-8-11(15)12(17-13(18)19)16-7-9-5-3-4-6-10(9)14/h2-6,8H,1,7H2,(H,16,17,19)
InChIKeyUMGCLWWRQFMNOE-UHFFFAOYSA-N
MW263.25 g/mol
LogP2.23
Rot. Bonds4

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

1-ethenyl-5-fluoro-4-[(2-fluorophenyl)methylamino]pyrimidin-2-one (PubChem CID 58166493) has the molecular formula C13H11F2N3O and a molecular weight of 263.25 g/mol. Its IUPAC name is 1-ethenyl-5-fluoro-4-[(2-fluorophenyl)methylamino]pyrimidin-2-one.

Molecular Properties

Compound Name1-ethenyl-5-fluoro-4-[(2-fluorophenyl)methylamino]pyrimidin-2-one
PubChem CID58166493
Molecular FormulaC13H11F2N3O
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name1-ethenyl-5-fluoro-4-[(2-fluorophenyl)methylamino]pyrimidin-2-one
SMILESC=Cn1cc(F)c(NCc2ccccc2F)nc1=O
InChIInChI=1S/C13H11F2N3O/c1-2-18-8-11(15)12(17-13(18)19)16-7-9-5-3-4-6-10(9)14/h2-6,8H,1,7H2,(H,16,17,19)
InChIKeyUMGCLWWRQFMNOE-UHFFFAOYSA-N
XLogP2.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-(4-fluorophenyl)-2,5-dihydro-1H-1,3,5-triazin-6-one
CID 118577456
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
4-Amino-1-benzylpyrimidin-2(1H)-one
CID 308581
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
6-amino-4-(benzylamino)-1H-pyrimidin-2-one
CID 309946

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-5-fluoro-4-[(2-fluorophenyl)methylamino]pyrimidin-2-one?
The IUPAC name of 1-ethenyl-5-fluoro-4-[(2-fluorophenyl)methylamino]pyrimidin-2-one (CID 58166493) is 1-ethenyl-5-fluoro-4-[(2-fluorophenyl)methylamino]pyrimidin-2-one.
What is the SMILES notation for 1-ethenyl-5-fluoro-4-[(2-fluorophenyl)methylamino]pyrimidin-2-one?
The canonical SMILES for 1-ethenyl-5-fluoro-4-[(2-fluorophenyl)methylamino]pyrimidin-2-one is C=Cn1cc(F)c(NCc2ccccc2F)nc1=O.
What is the InChIKey of 1-ethenyl-5-fluoro-4-[(2-fluorophenyl)methylamino]pyrimidin-2-one?
The InChIKey is UMGCLWWRQFMNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O/c1-2-18-8-11(15)12(17-13(18)19)16-7-9-5-3-4-6-10(9)14/h2-6,8H,1,7H2,(H,16,17,19).
What are the key properties of 1-ethenyl-5-fluoro-4-[(2-fluorophenyl)methylamino]pyrimidin-2-one?
1-ethenyl-5-fluoro-4-[(2-fluorophenyl)methylamino]pyrimidin-2-one has a molecular weight of 263.25 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-5-fluoro-4-[(2-fluorophenyl)methylamino]pyrimidin-2-one is sourced from PubChem (CID 58166493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).