2-(difluoromethyl)-4-hydroxy-1H-pyrimidin-6-one

C5H4F2N2O2 — CID 59343587

IUPAC2-(difluoromethyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(C(F)F)[nH]1
InChIInChI=1S/C5H4F2N2O2/c6-4(7)5-8-2(10)1-3(11)9-5/h1,4H,(H2,8,9,10,11)
InChIKeyXPQIEWVNVRVIHS-UHFFFAOYSA-N
MW162.09 g/mol
LogP0.41
Rot. Bonds1

About 2-(difluoromethyl)-4-hydroxy-1H-pyrimidin-6-one

2-(difluoromethyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 59343587) has the molecular formula C5H4F2N2O2 and a molecular weight of 162.09 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(difluoromethyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID59343587
Molecular FormulaC5H4F2N2O2
Molecular Weight162.09 g/mol
Exact Mass162.02
IUPAC Name2-(difluoromethyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(C(F)F)[nH]1
InChIInChI=1S/C5H4F2N2O2/c6-4(7)5-8-2(10)1-3(11)9-5/h1,4H,(H2,8,9,10,11)
InChIKeyXPQIEWVNVRVIHS-UHFFFAOYSA-N
XLogP0.41
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.09
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(difluoromethyl)-4-hydroxy-1H-pyrimidin-6-one (CID 59343587) is 2-(difluoromethyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(difluoromethyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(difluoromethyl)-4-hydroxy-1H-pyrimidin-6-one is O=c1cc(O)nc(C(F)F)[nH]1.
What is the InChIKey of 2-(difluoromethyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is XPQIEWVNVRVIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F2N2O2/c6-4(7)5-8-2(10)1-3(11)9-5/h1,4H,(H2,8,9,10,11).
What are the key properties of 2-(difluoromethyl)-4-hydroxy-1H-pyrimidin-6-one?
2-(difluoromethyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 162.09 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 59343587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).