3-[5-(3-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-1-yl]propanamide

C13H12FN3O4 — CID 115946839

IUPAC3-[5-(3-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-1-yl]propanamide
SMILESNC(=O)CCn1c(O)c(-c2cccc(F)c2)c(=O)[nH]c1=O
InChIInChI=1S/C13H12FN3O4/c14-8-3-1-2-7(6-8)10-11(19)16-13(21)17(12(10)20)5-4-9(15)18/h1-3,6,20H,4-5H2,(H2,15,18)(H,16,19,21)
InChIKeyCTLKNHGSFVNLLY-UHFFFAOYSA-N
MW293.25 g/mol
LogP-0.08
Rot. Bonds4

About 3-[5-(3-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-1-yl]propanamide

3-[5-(3-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-1-yl]propanamide (PubChem CID 115946839) has the molecular formula C13H12FN3O4 and a molecular weight of 293.25 g/mol. Its IUPAC name is 3-[5-(3-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-1-yl]propanamide.

Molecular Properties

Compound Name3-[5-(3-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-1-yl]propanamide
PubChem CID115946839
Molecular FormulaC13H12FN3O4
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name3-[5-(3-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-1-yl]propanamide
SMILESNC(=O)CCn1c(O)c(-c2cccc(F)c2)c(=O)[nH]c1=O
InChIInChI=1S/C13H12FN3O4/c14-8-3-1-2-7(6-8)10-11(19)16-13(21)17(12(10)20)5-4-9(15)18/h1-3,6,20H,4-5H2,(H2,15,18)(H,16,19,21)
InChIKeyCTLKNHGSFVNLLY-UHFFFAOYSA-N
XLogP-0.08
TPSA118.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-fluorophenyl)-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione
CID 112599485
5-(3-fluorophenyl)-6-hydroxy-1-(3-methoxypropyl)pyrimidine-2,4-dione
CID 115946665
3-[5-(2-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-1-yl]propanamide
CID 115946840
1-butyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione
CID 115946137
3-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)propanamide
CID 112599367
6-hydroxy-5-phenyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione
CID 115948074
5-(3-chlorophenyl)-1-(2,2-dimethylpropyl)-6-hydroxypyrimidine-2,4-dione
CID 115947031
1-but-3-ynyl-5-(3-chlorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 115948238
6-hydroxy-5-(3-methylphenyl)-1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione
CID 115948298
1-(3-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide
CID 66522860
5-(3-bromophenyl)-6-hydroxy-1-(3-methylbut-2-enyl)pyrimidine-2,4-dione
CID 106185818
5-(2-fluorophenyl)-6-hydroxy-1-propylpyrimidine-2,4-dione
CID 112598483

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-1-yl]propanamide?
The IUPAC name of 3-[5-(3-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-1-yl]propanamide (CID 115946839) is 3-[5-(3-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-1-yl]propanamide.
What is the SMILES notation for 3-[5-(3-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-1-yl]propanamide?
The canonical SMILES for 3-[5-(3-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-1-yl]propanamide is NC(=O)CCn1c(O)c(-c2cccc(F)c2)c(=O)[nH]c1=O.
What is the InChIKey of 3-[5-(3-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-1-yl]propanamide?
The InChIKey is CTLKNHGSFVNLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O4/c14-8-3-1-2-7(6-8)10-11(19)16-13(21)17(12(10)20)5-4-9(15)18/h1-3,6,20H,4-5H2,(H2,15,18)(H,16,19,21).
What are the key properties of 3-[5-(3-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-1-yl]propanamide?
3-[5-(3-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-1-yl]propanamide has a molecular weight of 293.25 g/mol, XLogP of -0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-1-yl]propanamide is sourced from PubChem (CID 115946839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).