1-(3-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide

C11H8FN3O4 — CID 66522860

IUPAC1-(3-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide
SMILESNC(=O)c1c(O)n(-c2cccc(F)c2)c(=O)[nH]c1=O
InChIInChI=1S/C11H8FN3O4/c12-5-2-1-3-6(4-5)15-10(18)7(8(13)16)9(17)14-11(15)19/h1-4,18H,(H2,13,16)(H,14,17,19)
InChIKeyAQYXFFOBDSGSHG-UHFFFAOYSA-N
MW265.20 g/mol
LogP-0.53
Rot. Bonds2

About 1-(3-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide

1-(3-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 66522860) has the molecular formula C11H8FN3O4 and a molecular weight of 265.20 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide
PubChem CID66522860
Molecular FormulaC11H8FN3O4
Molecular Weight265.20 g/mol
Exact Mass265.05
IUPAC Name1-(3-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide
SMILESNC(=O)c1c(O)n(-c2cccc(F)c2)c(=O)[nH]c1=O
InChIInChI=1S/C11H8FN3O4/c12-5-2-1-3-6(4-5)15-10(18)7(8(13)16)9(17)14-11(15)19/h1-4,18H,(H2,13,16)(H,14,17,19)
InChIKeyAQYXFFOBDSGSHG-UHFFFAOYSA-N
XLogP-0.53
TPSA118.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.20
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[N-(4-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione
CID 917399
3-(3-fluorophenyl)-4-methyl-1H-imidazol-2-one
CID 81446269
1-(3-chlorophenyl)-N'-[(3-fluorophenyl)methyl]-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboximidamide
CID 2721841
3-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)benzonitrile
CID 112598512
1-(3-bromophenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide
CID 66522731
5-chloro-3-(3-fluorophenyl)-1H-benzimidazol-2-one
CID 117208349
3-[5-(3-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-1-yl]propanamide
CID 115946839
9-(3-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboximidamide
CID 150272610
1-(3-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 175789882
5-[(5-bromoindol-3-ylidene)methyl]-1-(3-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 4625058
1-[6-(3-fluorophenyl)-5,7-dioxo-8H-pyrimido[4,5-d]pyrimidin-2-yl]piperidine-4-carboxamide
CID 53333482
1-(3,4-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598353

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide (CID 66522860) is 1-(3-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide is NC(=O)c1c(O)n(-c2cccc(F)c2)c(=O)[nH]c1=O.
What is the InChIKey of 1-(3-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is AQYXFFOBDSGSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O4/c12-5-2-1-3-6(4-5)15-10(18)7(8(13)16)9(17)14-11(15)19/h1-4,18H,(H2,13,16)(H,14,17,19).
What are the key properties of 1-(3-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide?
1-(3-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 265.20 g/mol, XLogP of -0.53, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 66522860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).