2-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)-2-methylpropanamide

C8H10FN3O2 — CID 175560433

IUPAC2-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)-2-methylpropanamide
SMILESCC(C)(C(N)=O)c1ncc(F)c(=O)[nH]1
InChIInChI=1S/C8H10FN3O2/c1-8(2,6(10)14)7-11-3-4(9)5(13)12-7/h3H,1-2H3,(H2,10,14)(H,11,12,13)
InChIKeyJQUIDAMIHKDGBS-UHFFFAOYSA-N
MW199.19 g/mol
LogP-0.33
Rot. Bonds2

About 2-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)-2-methylpropanamide

2-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)-2-methylpropanamide (PubChem CID 175560433) has the molecular formula C8H10FN3O2 and a molecular weight of 199.19 g/mol. Its IUPAC name is 2-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)-2-methylpropanamide
PubChem CID175560433
Molecular FormulaC8H10FN3O2
Molecular Weight199.19 g/mol
Exact Mass199.08
IUPAC Name2-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)-2-methylpropanamide
SMILESCC(C)(C(N)=O)c1ncc(F)c(=O)[nH]1
InChIInChI=1S/C8H10FN3O2/c1-8(2,6(10)14)7-11-3-4(9)5(13)12-7/h3H,1-2H3,(H2,10,14)(H,11,12,13)
InChIKeyJQUIDAMIHKDGBS-UHFFFAOYSA-N
XLogP-0.33
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.19
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)-2-methylpropanamide?
The IUPAC name of 2-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)-2-methylpropanamide (CID 175560433) is 2-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)-2-methylpropanamide.
What is the SMILES notation for 2-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)-2-methylpropanamide?
The canonical SMILES for 2-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)-2-methylpropanamide is CC(C)(C(N)=O)c1ncc(F)c(=O)[nH]1.
What is the InChIKey of 2-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)-2-methylpropanamide?
The InChIKey is JQUIDAMIHKDGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O2/c1-8(2,6(10)14)7-11-3-4(9)5(13)12-7/h3H,1-2H3,(H2,10,14)(H,11,12,13).
What are the key properties of 2-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)-2-methylpropanamide?
2-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)-2-methylpropanamide has a molecular weight of 199.19 g/mol, XLogP of -0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)-2-methylpropanamide is sourced from PubChem (CID 175560433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).