2-cyclopropyl-5-fluoro-4-hydroxy-1H-pyrimidin-6-one

C7H7FN2O2 — CID 10214419

IUPAC2-cyclopropyl-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CC2)nc(O)c1F
InChIInChI=1S/C7H7FN2O2/c8-4-6(11)9-5(3-1-2-3)10-7(4)12/h3H,1-2H2,(H2,9,10,11,12)
InChIKeyHTHLEQWSIZBZGJ-UHFFFAOYSA-N
MW170.14 g/mol
LogP0.49
Rot. Bonds1

About 2-cyclopropyl-5-fluoro-4-hydroxy-1H-pyrimidin-6-one

2-cyclopropyl-5-fluoro-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 10214419) has the molecular formula C7H7FN2O2 and a molecular weight of 170.14 g/mol. Its IUPAC name is 2-cyclopropyl-5-fluoro-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
PubChem CID10214419
Molecular FormulaC7H7FN2O2
Molecular Weight170.14 g/mol
Exact Mass170.05
IUPAC Name2-cyclopropyl-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CC2)nc(O)c1F
InChIInChI=1S/C7H7FN2O2/c8-4-6(11)9-5(3-1-2-3)10-7(4)12/h3H,1-2H2,(H2,9,10,11,12)
InChIKeyHTHLEQWSIZBZGJ-UHFFFAOYSA-N
XLogP0.49
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.14
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-5-fluoro-4-hydroxy-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-5-fluoro-4-hydroxy-1H-pyrimidin-6-one (CID 10214419) is 2-cyclopropyl-5-fluoro-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-5-fluoro-4-hydroxy-1H-pyrimidin-6-one is O=c1[nH]c(C2CC2)nc(O)c1F.
What is the InChIKey of 2-cyclopropyl-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is HTHLEQWSIZBZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O2/c8-4-6(11)9-5(3-1-2-3)10-7(4)12/h3H,1-2H2,(H2,9,10,11,12).
What are the key properties of 2-cyclopropyl-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
2-cyclopropyl-5-fluoro-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 170.14 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-fluoro-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 10214419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).