6-[(1S,2R)-2-fluorocyclopropyl]-1H-pyrimidin-2-one

C7H7FN2O — CID 177328673

IUPAC6-[(1S,2R)-2-fluorocyclopropyl]-1H-pyrimidin-2-one
SMILESO=c1nccc([C@@H]2C[C@H]2F)[nH]1
InChIInChI=1S/C7H7FN2O/c8-5-3-4(5)6-1-2-9-7(11)10-6/h1-2,4-5H,3H2,(H,9,10,11)/t4-,5-/m1/s1
InChIKeyURJSXIBUENNWAR-RFZPGFLSSA-N
MW154.14 g/mol
LogP0.60
Rot. Bonds1

About 6-[(1S,2R)-2-fluorocyclopropyl]-1H-pyrimidin-2-one

6-[(1S,2R)-2-fluorocyclopropyl]-1H-pyrimidin-2-one (PubChem CID 177328673) has the molecular formula C7H7FN2O and a molecular weight of 154.14 g/mol. Its IUPAC name is 6-[(1S,2R)-2-fluorocyclopropyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[(1S,2R)-2-fluorocyclopropyl]-1H-pyrimidin-2-one
PubChem CID177328673
Molecular FormulaC7H7FN2O
Molecular Weight154.14 g/mol
Exact Mass154.05
IUPAC Name6-[(1S,2R)-2-fluorocyclopropyl]-1H-pyrimidin-2-one
SMILESO=c1nccc([C@@H]2C[C@H]2F)[nH]1
InChIInChI=1S/C7H7FN2O/c8-5-3-4(5)6-1-2-9-7(11)10-6/h1-2,4-5H,3H2,(H,9,10,11)/t4-,5-/m1/s1
InChIKeyURJSXIBUENNWAR-RFZPGFLSSA-N
XLogP0.60
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 ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(1S,2R)-2-fluorocyclopropyl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[(1S,2R)-2-fluorocyclopropyl]-1H-pyrimidin-2-one (CID 177328673) is 6-[(1S,2R)-2-fluorocyclopropyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[(1S,2R)-2-fluorocyclopropyl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[(1S,2R)-2-fluorocyclopropyl]-1H-pyrimidin-2-one is O=c1nccc([C@@H]2C[C@H]2F)[nH]1.
What is the InChIKey of 6-[(1S,2R)-2-fluorocyclopropyl]-1H-pyrimidin-2-one?
The InChIKey is URJSXIBUENNWAR-RFZPGFLSSA-N. The full InChI is InChI=1S/C7H7FN2O/c8-5-3-4(5)6-1-2-9-7(11)10-6/h1-2,4-5H,3H2,(H,9,10,11)/t4-,5-/m1/s1.
What are the key properties of 6-[(1S,2R)-2-fluorocyclopropyl]-1H-pyrimidin-2-one?
6-[(1S,2R)-2-fluorocyclopropyl]-1H-pyrimidin-2-one has a molecular weight of 154.14 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S,2R)-2-fluorocyclopropyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 177328673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).