5-fluoro-6-oxo-1H-pyrimidine-4-carboxamide

C5H4FN3O2 — CID 137180983

IUPAC5-fluoro-6-oxo-1H-pyrimidine-4-carboxamide
SMILESNC(=O)c1nc[nH]c(=O)c1F
InChIInChI=1S/C5H4FN3O2/c6-2-3(4(7)10)8-1-9-5(2)11/h1H,(H2,7,10)(H,8,9,11)
InChIKeyFMAYGYFRVVBWHS-UHFFFAOYSA-N
MW157.10 g/mol
LogP-0.99
Rot. Bonds1

About 5-fluoro-6-oxo-1H-pyrimidine-4-carboxamide

5-fluoro-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 137180983) has the molecular formula C5H4FN3O2 and a molecular weight of 157.10 g/mol. Its IUPAC name is 5-fluoro-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-fluoro-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID137180983
Molecular FormulaC5H4FN3O2
Molecular Weight157.10 g/mol
Exact Mass157.03
IUPAC Name5-fluoro-6-oxo-1H-pyrimidine-4-carboxamide
SMILESNC(=O)c1nc[nH]c(=O)c1F
InChIInChI=1S/C5H4FN3O2/c6-2-3(4(7)10)8-1-9-5(2)11/h1H,(H2,7,10)(H,8,9,11)
InChIKeyFMAYGYFRVVBWHS-UHFFFAOYSA-N
XLogP-0.99
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.10
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of 5-fluoro-6-oxo-1H-pyrimidine-4-carboxamide (CID 137180983) is 5-fluoro-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 5-fluoro-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 5-fluoro-6-oxo-1H-pyrimidine-4-carboxamide is NC(=O)c1nc[nH]c(=O)c1F.
What is the InChIKey of 5-fluoro-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is FMAYGYFRVVBWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FN3O2/c6-2-3(4(7)10)8-1-9-5(2)11/h1H,(H2,7,10)(H,8,9,11).
What are the key properties of 5-fluoro-6-oxo-1H-pyrimidine-4-carboxamide?
5-fluoro-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 157.10 g/mol, XLogP of -0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 137180983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).