5-fluoropyrimidine-4-carboxamide

C5H4FN3O — CID 167528767

IUPAC5-fluoropyrimidine-4-carboxamide
SMILESNC(=O)c1ncncc1F
InChIInChI=1S/C5H4FN3O/c6-3-1-8-2-9-4(3)5(7)10/h1-2H,(H2,7,10)
InChIKeyOVBDGJWYXJPFEC-UHFFFAOYSA-N
MW141.10 g/mol
LogP-0.29
Rot. Bonds1

About 5-fluoropyrimidine-4-carboxamide

5-fluoropyrimidine-4-carboxamide (PubChem CID 167528767) has the molecular formula C5H4FN3O and a molecular weight of 141.10 g/mol. Its IUPAC name is 5-fluoropyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-fluoropyrimidine-4-carboxamide
PubChem CID167528767
Molecular FormulaC5H4FN3O
Molecular Weight141.10 g/mol
Exact Mass141.03
IUPAC Name5-fluoropyrimidine-4-carboxamide
SMILESNC(=O)c1ncncc1F
InChIInChI=1S/C5H4FN3O/c6-3-1-8-2-9-4(3)5(7)10/h1-2H,(H2,7,10)
InChIKeyOVBDGJWYXJPFEC-UHFFFAOYSA-N
XLogP-0.29
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.10
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoropyrimidine-4-carboxamide?
The IUPAC name of 5-fluoropyrimidine-4-carboxamide (CID 167528767) is 5-fluoropyrimidine-4-carboxamide.
What is the SMILES notation for 5-fluoropyrimidine-4-carboxamide?
The canonical SMILES for 5-fluoropyrimidine-4-carboxamide is NC(=O)c1ncncc1F.
What is the InChIKey of 5-fluoropyrimidine-4-carboxamide?
The InChIKey is OVBDGJWYXJPFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FN3O/c6-3-1-8-2-9-4(3)5(7)10/h1-2H,(H2,7,10).
What are the key properties of 5-fluoropyrimidine-4-carboxamide?
5-fluoropyrimidine-4-carboxamide has a molecular weight of 141.10 g/mol, XLogP of -0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoropyrimidine-4-carboxamide is sourced from PubChem (CID 167528767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).