5-fluoro-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide

C6H6FN3O2 — CID 137180965

IUPAC5-fluoro-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1nc(C(N)=O)c(F)c(=O)[nH]1
InChIInChI=1S/C6H6FN3O2/c1-2-9-4(5(8)11)3(7)6(12)10-2/h1H3,(H2,8,11)(H,9,10,12)
InChIKeyBPUCKORQTTZRBK-UHFFFAOYSA-N
MW171.13 g/mol
LogP-0.68
Rot. Bonds1

About 5-fluoro-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide

5-fluoro-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 137180965) has the molecular formula C6H6FN3O2 and a molecular weight of 171.13 g/mol. Its IUPAC name is 5-fluoro-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-fluoro-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID137180965
Molecular FormulaC6H6FN3O2
Molecular Weight171.13 g/mol
Exact Mass171.04
IUPAC Name5-fluoro-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1nc(C(N)=O)c(F)c(=O)[nH]1
InChIInChI=1S/C6H6FN3O2/c1-2-9-4(5(8)11)3(7)6(12)10-2/h1H3,(H2,8,11)(H,9,10,12)
InChIKeyBPUCKORQTTZRBK-UHFFFAOYSA-N
XLogP-0.68
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.13
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of 5-fluoro-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide (CID 137180965) is 5-fluoro-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 5-fluoro-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 5-fluoro-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide is Cc1nc(C(N)=O)c(F)c(=O)[nH]1.
What is the InChIKey of 5-fluoro-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is BPUCKORQTTZRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FN3O2/c1-2-9-4(5(8)11)3(7)6(12)10-2/h1H3,(H2,8,11)(H,9,10,12).
What are the key properties of 5-fluoro-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
5-fluoro-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 171.13 g/mol, XLogP of -0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 137180965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).