5-fluoro-2,4-dioxo-1H-pyrimidine-3-carboxamide

C5H4FN3O3 — CID 70619306

IUPAC5-fluoro-2,4-dioxo-1H-pyrimidine-3-carboxamide
SMILESNC(=O)n1c(=O)[nH]cc(F)c1=O
InChIInChI=1S/C5H4FN3O3/c6-2-1-8-5(12)9(3(2)10)4(7)11/h1H,(H2,7,11)(H,8,12)
InChIKeyHLTPDZOZPSMYJF-UHFFFAOYSA-N
MW173.10 g/mol
LogP-1.40
Rot. Bonds

About 5-fluoro-2,4-dioxo-1H-pyrimidine-3-carboxamide

5-fluoro-2,4-dioxo-1H-pyrimidine-3-carboxamide (PubChem CID 70619306) has the molecular formula C5H4FN3O3 and a molecular weight of 173.10 g/mol. Its IUPAC name is 5-fluoro-2,4-dioxo-1H-pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-2,4-dioxo-1H-pyrimidine-3-carboxamide
PubChem CID70619306
Molecular FormulaC5H4FN3O3
Molecular Weight173.10 g/mol
Exact Mass173.02
IUPAC Name5-fluoro-2,4-dioxo-1H-pyrimidine-3-carboxamide
SMILESNC(=O)n1c(=O)[nH]cc(F)c1=O
InChIInChI=1S/C5H4FN3O3/c6-2-1-8-5(12)9(3(2)10)4(7)11/h1H,(H2,7,11)(H,8,12)
InChIKeyHLTPDZOZPSMYJF-UHFFFAOYSA-N
XLogP-1.40
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.10
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,4-dioxo-1H-pyrimidine-3-carboxamide?
The IUPAC name of 5-fluoro-2,4-dioxo-1H-pyrimidine-3-carboxamide (CID 70619306) is 5-fluoro-2,4-dioxo-1H-pyrimidine-3-carboxamide.
What is the SMILES notation for 5-fluoro-2,4-dioxo-1H-pyrimidine-3-carboxamide?
The canonical SMILES for 5-fluoro-2,4-dioxo-1H-pyrimidine-3-carboxamide is NC(=O)n1c(=O)[nH]cc(F)c1=O.
What is the InChIKey of 5-fluoro-2,4-dioxo-1H-pyrimidine-3-carboxamide?
The InChIKey is HLTPDZOZPSMYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FN3O3/c6-2-1-8-5(12)9(3(2)10)4(7)11/h1H,(H2,7,11)(H,8,12).
What are the key properties of 5-fluoro-2,4-dioxo-1H-pyrimidine-3-carboxamide?
5-fluoro-2,4-dioxo-1H-pyrimidine-3-carboxamide has a molecular weight of 173.10 g/mol, XLogP of -1.40, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,4-dioxo-1H-pyrimidine-3-carboxamide is sourced from PubChem (CID 70619306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).