5-(2,2-difluoroethoxy)-1H-pyrimidin-6-one

C6H6F2N2O2 — CID 178112084

IUPAC5-(2,2-difluoroethoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cncc1OCC(F)F
InChIInChI=1S/C6H6F2N2O2/c7-5(8)2-12-4-1-9-3-10-6(4)11/h1,3,5H,2H2,(H,9,10,11)
InChIKeyBDHSJFPJYJRORJ-UHFFFAOYSA-N
MW176.12 g/mol
LogP0.41
Rot. Bonds3

About 5-(2,2-difluoroethoxy)-1H-pyrimidin-6-one

5-(2,2-difluoroethoxy)-1H-pyrimidin-6-one (PubChem CID 178112084) has the molecular formula C6H6F2N2O2 and a molecular weight of 176.12 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2,2-difluoroethoxy)-1H-pyrimidin-6-one
PubChem CID178112084
Molecular FormulaC6H6F2N2O2
Molecular Weight176.12 g/mol
Exact Mass176.04
IUPAC Name5-(2,2-difluoroethoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cncc1OCC(F)F
InChIInChI=1S/C6H6F2N2O2/c7-5(8)2-12-4-1-9-3-10-6(4)11/h1,3,5H,2H2,(H,9,10,11)
InChIKeyBDHSJFPJYJRORJ-UHFFFAOYSA-N
XLogP0.41
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.12
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Pyrimidinol, 5-ethoxy-
CID 3050570
5-Methoxypyrimidin-4-ol
CID 581046
5-ethoxy-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136015807
2-amino-5-(2,2-difluoroethoxy)-1H-pyrimidin-6-one
CID 164908133
5-(2-fluoroethoxy)-1H-pyrimidin-6-one
CID 172329880
2-chloro-5-(difluoromethoxy)-1H-pyrimidin-6-one
CID 172585407
2-chloro-5-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 178112057
2-chloro-5-(2,2-difluoroethoxy)-1H-pyrimidin-6-one
CID 178112127
5-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 178112152
5-methoxy-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 103240548
5-methoxy-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one
CID 103241789
4-(2,2-difluoroethoxy)-5-methoxy-1H-pyrimidin-6-one
CID 103241904

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-(2,2-difluoroethoxy)-1H-pyrimidin-6-one (CID 178112084) is 5-(2,2-difluoroethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2,2-difluoroethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2,2-difluoroethoxy)-1H-pyrimidin-6-one is O=c1[nH]cncc1OCC(F)F.
What is the InChIKey of 5-(2,2-difluoroethoxy)-1H-pyrimidin-6-one?
The InChIKey is BDHSJFPJYJRORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O2/c7-5(8)2-12-4-1-9-3-10-6(4)11/h1,3,5H,2H2,(H,9,10,11).
What are the key properties of 5-(2,2-difluoroethoxy)-1H-pyrimidin-6-one?
5-(2,2-difluoroethoxy)-1H-pyrimidin-6-one has a molecular weight of 176.12 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 178112084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).