2-(1,1-difluoroethyl)-4-hydroxy-1H-pyrimidin-6-one

C6H6F2N2O2 — CID 170640738

IUPAC2-(1,1-difluoroethyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCC(F)(F)c1nc(O)cc(=O)[nH]1
InChIInChI=1S/C6H6F2N2O2/c1-6(7,8)5-9-3(11)2-4(12)10-5/h2H,1H3,(H2,9,10,11,12)
InChIKeyZXQFLQFHPNRGLL-UHFFFAOYSA-N
MW176.12 g/mol
LogP0.59
Rot. Bonds1

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

2-(1,1-difluoroethyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 170640738) has the molecular formula C6H6F2N2O2 and a molecular weight of 176.12 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID170640738
Molecular FormulaC6H6F2N2O2
Molecular Weight176.12 g/mol
Exact Mass176.04
IUPAC Name2-(1,1-difluoroethyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCC(F)(F)c1nc(O)cc(=O)[nH]1
InChIInChI=1S/C6H6F2N2O2/c1-6(7,8)5-9-3(11)2-4(12)10-5/h2H,1H3,(H2,9,10,11,12)
InChIKeyZXQFLQFHPNRGLL-UHFFFAOYSA-N
XLogP0.59
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.12
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-Dihydroxy-2-methylpyrimidine
CID 222672
6-Amino-2-(trifluoromethyl)pyrimidin-4-ol
CID 135408606
2-(Trifluoromethyl)pyrimidine-4,6-diol
CID 243103
2-Propylpyrimidine-4,6-diol
CID 12280642
AC1Ldwnn
CID 676463
5-Methyl-2-trifluoromethylpyrimidine-4,6-diol
CID 33698020
2-Ethyl-4,6-dihydroxypyrimidine
CID 520836
5-Fluoro-2-methylpyrimidine-4,6-diol
CID 233895
2-tert-butyl-4-(difluoromethoxy)-1H-pyrimidin-6-one
CID 14801498
4(3H)-Pyrimidinone, 2-(1,1-difluoroethyl)-
CID 22180793
4,6-Dihydroxy-2-ethyl-5-fluoropyrimidine
CID 55275470
2-(Fluoromethyl)pyrimidine-4,6-diol
CID 59343540

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(1,1-difluoroethyl)-4-hydroxy-1H-pyrimidin-6-one (CID 170640738) is 2-(1,1-difluoroethyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1,1-difluoroethyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1,1-difluoroethyl)-4-hydroxy-1H-pyrimidin-6-one is CC(F)(F)c1nc(O)cc(=O)[nH]1.
What is the InChIKey of 2-(1,1-difluoroethyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is ZXQFLQFHPNRGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O2/c1-6(7,8)5-9-3(11)2-4(12)10-5/h2H,1H3,(H2,9,10,11,12).
What are the key properties of 2-(1,1-difluoroethyl)-4-hydroxy-1H-pyrimidin-6-one?
2-(1,1-difluoroethyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 176.12 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 170640738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).