6-acetyl-5-fluoropyrimidine-4-carboxamide

C7H6FN3O2 — CID 59802591

IUPAC6-acetyl-5-fluoropyrimidine-4-carboxamide
SMILESCC(=O)c1ncnc(C(N)=O)c1F
InChIInChI=1S/C7H6FN3O2/c1-3(12)5-4(8)6(7(9)13)11-2-10-5/h2H,1H3,(H2,9,13)
InChIKeyLTQCHVWACJSEIT-UHFFFAOYSA-N
MW183.14 g/mol
LogP-0.08
Rot. Bonds2

About 6-acetyl-5-fluoropyrimidine-4-carboxamide

6-acetyl-5-fluoropyrimidine-4-carboxamide (PubChem CID 59802591) has the molecular formula C7H6FN3O2 and a molecular weight of 183.14 g/mol. Its IUPAC name is 6-acetyl-5-fluoropyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-acetyl-5-fluoropyrimidine-4-carboxamide
PubChem CID59802591
Molecular FormulaC7H6FN3O2
Molecular Weight183.14 g/mol
Exact Mass183.04
IUPAC Name6-acetyl-5-fluoropyrimidine-4-carboxamide
SMILESCC(=O)c1ncnc(C(N)=O)c1F
InChIInChI=1S/C7H6FN3O2/c1-3(12)5-4(8)6(7(9)13)11-2-10-5/h2H,1H3,(H2,9,13)
InChIKeyLTQCHVWACJSEIT-UHFFFAOYSA-N
XLogP-0.08
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.14
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-5-fluoropyrimidine-4-carboxamide?
The IUPAC name of 6-acetyl-5-fluoropyrimidine-4-carboxamide (CID 59802591) is 6-acetyl-5-fluoropyrimidine-4-carboxamide.
What is the SMILES notation for 6-acetyl-5-fluoropyrimidine-4-carboxamide?
The canonical SMILES for 6-acetyl-5-fluoropyrimidine-4-carboxamide is CC(=O)c1ncnc(C(N)=O)c1F.
What is the InChIKey of 6-acetyl-5-fluoropyrimidine-4-carboxamide?
The InChIKey is LTQCHVWACJSEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN3O2/c1-3(12)5-4(8)6(7(9)13)11-2-10-5/h2H,1H3,(H2,9,13).
What are the key properties of 6-acetyl-5-fluoropyrimidine-4-carboxamide?
6-acetyl-5-fluoropyrimidine-4-carboxamide has a molecular weight of 183.14 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-5-fluoropyrimidine-4-carboxamide is sourced from PubChem (CID 59802591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).