4-amino-5-fluoro-1-(1-phenylethenyl)pyrimidin-2-one

C12H10FN3O — CID 58166415

IUPAC4-amino-5-fluoro-1-(1-phenylethenyl)pyrimidin-2-one
SMILESC=C(c1ccccc1)n1cc(F)c(N)nc1=O
InChIInChI=1S/C12H10FN3O/c1-8(9-5-3-2-4-6-9)16-7-10(13)11(14)15-12(16)17/h2-7H,1H2,(H2,14,15,17)
InChIKeyFOLYRSZARRMVDY-UHFFFAOYSA-N
MW231.23 g/mol
LogP1.48
Rot. Bonds2

About 4-amino-5-fluoro-1-(1-phenylethenyl)pyrimidin-2-one

4-amino-5-fluoro-1-(1-phenylethenyl)pyrimidin-2-one (PubChem CID 58166415) has the molecular formula C12H10FN3O and a molecular weight of 231.23 g/mol. Its IUPAC name is 4-amino-5-fluoro-1-(1-phenylethenyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-fluoro-1-(1-phenylethenyl)pyrimidin-2-one
PubChem CID58166415
Molecular FormulaC12H10FN3O
Molecular Weight231.23 g/mol
Exact Mass231.08
IUPAC Name4-amino-5-fluoro-1-(1-phenylethenyl)pyrimidin-2-one
SMILESC=C(c1ccccc1)n1cc(F)c(N)nc1=O
InChIInChI=1S/C12H10FN3O/c1-8(9-5-3-2-4-6-9)16-7-10(13)11(14)15-12(16)17/h2-7H,1H2,(H2,14,15,17)
InChIKeyFOLYRSZARRMVDY-UHFFFAOYSA-N
XLogP1.48
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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4-Amino-1-benzylpyrimidin-2(1H)-one
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3-benzyl-5-phenyl-1H-imidazol-2-one
CID 10264122
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CID 155515630
2-Phenylpyrido[1,2-a][1,3,5]triazin-4-one
CID 324173
5-Pyrimidinecarbonitrile, 1,2,3,6-tetrahydro-3-benzyl-6-imino-2-oxo-
CID 114147
4-(4-Fluorophenyl)-1,3-dihydro-2H-imidazol-2-one
CID 45158668
4-Amino-1-(4-phenylbutyl)pyrimidin-2(1H)-one
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CID 13351724

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-1-(1-phenylethenyl)pyrimidin-2-one?
The IUPAC name of 4-amino-5-fluoro-1-(1-phenylethenyl)pyrimidin-2-one (CID 58166415) is 4-amino-5-fluoro-1-(1-phenylethenyl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-fluoro-1-(1-phenylethenyl)pyrimidin-2-one?
The canonical SMILES for 4-amino-5-fluoro-1-(1-phenylethenyl)pyrimidin-2-one is C=C(c1ccccc1)n1cc(F)c(N)nc1=O.
What is the InChIKey of 4-amino-5-fluoro-1-(1-phenylethenyl)pyrimidin-2-one?
The InChIKey is FOLYRSZARRMVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O/c1-8(9-5-3-2-4-6-9)16-7-10(13)11(14)15-12(16)17/h2-7H,1H2,(H2,14,15,17).
What are the key properties of 4-amino-5-fluoro-1-(1-phenylethenyl)pyrimidin-2-one?
4-amino-5-fluoro-1-(1-phenylethenyl)pyrimidin-2-one has a molecular weight of 231.23 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-1-(1-phenylethenyl)pyrimidin-2-one is sourced from PubChem (CID 58166415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).