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

C6H5F3N2O2 — CID 178112152

IUPAC5-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cncc1OCC(F)(F)F
InChIInChI=1S/C6H5F3N2O2/c7-6(8,9)2-13-4-1-10-3-11-5(4)12/h1,3H,2H2,(H,10,11,12)
InChIKeyPNGBCZKEXOGRBA-UHFFFAOYSA-N
MW194.11 g/mol
LogP0.71
Rot. Bonds2

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

5-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one (PubChem CID 178112152) has the molecular formula C6H5F3N2O2 and a molecular weight of 194.11 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
PubChem CID178112152
Molecular FormulaC6H5F3N2O2
Molecular Weight194.11 g/mol
Exact Mass194.03
IUPAC Name5-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cncc1OCC(F)(F)F
InChIInChI=1S/C6H5F3N2O2/c7-6(8,9)2-13-4-1-10-3-11-5(4)12/h1,3H,2H2,(H,10,11,12)
InChIKeyPNGBCZKEXOGRBA-UHFFFAOYSA-N
XLogP0.71
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.11
LogP ≤ 50.71
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
5-(2,2-difluoroethoxy)-1H-pyrimidin-6-one
CID 178112084
2-chloro-5-(2,2-difluoroethoxy)-1H-pyrimidin-6-one
CID 178112127
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-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one (CID 178112152) is 5-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one is O=c1[nH]cncc1OCC(F)(F)F.
What is the InChIKey of 5-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one?
The InChIKey is PNGBCZKEXOGRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O2/c7-6(8,9)2-13-4-1-10-3-11-5(4)12/h1,3H,2H2,(H,10,11,12).
What are the key properties of 5-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one?
5-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one has a molecular weight of 194.11 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 178112152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).