5-fluoro-4-methylpyrimidine-2-carboxamide

C6H6FN3O — CID 118899224

IUPAC5-fluoro-4-methylpyrimidine-2-carboxamide
SMILESCc1nc(C(N)=O)ncc1F
InChIInChI=1S/C6H6FN3O/c1-3-4(7)2-9-6(10-3)5(8)11/h2H,1H3,(H2,8,11)
InChIKeyGQYSFKWHFBVOBF-UHFFFAOYSA-N
MW155.13 g/mol
LogP0.02
Rot. Bonds1

About 5-fluoro-4-methylpyrimidine-2-carboxamide

5-fluoro-4-methylpyrimidine-2-carboxamide (PubChem CID 118899224) has the molecular formula C6H6FN3O and a molecular weight of 155.13 g/mol. Its IUPAC name is 5-fluoro-4-methylpyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-4-methylpyrimidine-2-carboxamide
PubChem CID118899224
Molecular FormulaC6H6FN3O
Molecular Weight155.13 g/mol
Exact Mass155.05
IUPAC Name5-fluoro-4-methylpyrimidine-2-carboxamide
SMILESCc1nc(C(N)=O)ncc1F
InChIInChI=1S/C6H6FN3O/c1-3-4(7)2-9-6(10-3)5(8)11/h2H,1H3,(H2,8,11)
InChIKeyGQYSFKWHFBVOBF-UHFFFAOYSA-N
XLogP0.02
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.13
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methylpyrimidine-2-carboxamide?
The IUPAC name of 5-fluoro-4-methylpyrimidine-2-carboxamide (CID 118899224) is 5-fluoro-4-methylpyrimidine-2-carboxamide.
What is the SMILES notation for 5-fluoro-4-methylpyrimidine-2-carboxamide?
The canonical SMILES for 5-fluoro-4-methylpyrimidine-2-carboxamide is Cc1nc(C(N)=O)ncc1F.
What is the InChIKey of 5-fluoro-4-methylpyrimidine-2-carboxamide?
The InChIKey is GQYSFKWHFBVOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FN3O/c1-3-4(7)2-9-6(10-3)5(8)11/h2H,1H3,(H2,8,11).
What are the key properties of 5-fluoro-4-methylpyrimidine-2-carboxamide?
5-fluoro-4-methylpyrimidine-2-carboxamide has a molecular weight of 155.13 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methylpyrimidine-2-carboxamide is sourced from PubChem (CID 118899224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).