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

C7H7FN2O — CID 106516159

IUPAC6-cyclopropyl-5-fluoro-1H-pyrimidin-2-one
SMILESO=c1ncc(F)c(C2CC2)[nH]1
InChIInChI=1S/C7H7FN2O/c8-5-3-9-7(11)10-6(5)4-1-2-4/h3-4H,1-2H2,(H,9,10,11)
InChIKeyPHBPSIGQXKCDQL-UHFFFAOYSA-N
MW154.14 g/mol
LogP0.79
Rot. Bonds1

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

6-cyclopropyl-5-fluoro-1H-pyrimidin-2-one (PubChem CID 106516159) has the molecular formula C7H7FN2O and a molecular weight of 154.14 g/mol. Its IUPAC name is 6-cyclopropyl-5-fluoro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-cyclopropyl-5-fluoro-1H-pyrimidin-2-one
PubChem CID106516159
Molecular FormulaC7H7FN2O
Molecular Weight154.14 g/mol
Exact Mass154.05
IUPAC Name6-cyclopropyl-5-fluoro-1H-pyrimidin-2-one
SMILESO=c1ncc(F)c(C2CC2)[nH]1
InChIInChI=1S/C7H7FN2O/c8-5-3-9-7(11)10-6(5)4-1-2-4/h3-4H,1-2H2,(H,9,10,11)
InChIKeyPHBPSIGQXKCDQL-UHFFFAOYSA-N
XLogP0.79
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.14
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-fluoro-1H-pyrimidin-2-one?
The IUPAC name of 6-cyclopropyl-5-fluoro-1H-pyrimidin-2-one (CID 106516159) is 6-cyclopropyl-5-fluoro-1H-pyrimidin-2-one.
What is the SMILES notation for 6-cyclopropyl-5-fluoro-1H-pyrimidin-2-one?
The canonical SMILES for 6-cyclopropyl-5-fluoro-1H-pyrimidin-2-one is O=c1ncc(F)c(C2CC2)[nH]1.
What is the InChIKey of 6-cyclopropyl-5-fluoro-1H-pyrimidin-2-one?
The InChIKey is PHBPSIGQXKCDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O/c8-5-3-9-7(11)10-6(5)4-1-2-4/h3-4H,1-2H2,(H,9,10,11).
What are the key properties of 6-cyclopropyl-5-fluoro-1H-pyrimidin-2-one?
6-cyclopropyl-5-fluoro-1H-pyrimidin-2-one has a molecular weight of 154.14 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-fluoro-1H-pyrimidin-2-one is sourced from PubChem (CID 106516159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).