2-propan-2-yloxy-4-(trifluoromethyl)-1H-pyrimidin-6-one

C8H9F3N2O2 — CID 135442232

IUPAC2-propan-2-yloxy-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCC(C)Oc1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C8H9F3N2O2/c1-4(2)15-7-12-5(8(9,10)11)3-6(14)13-7/h3-4H,1-2H3,(H,12,13,14)
InChIKeySEOQOJYLMCNCKC-UHFFFAOYSA-N
MW222.17 g/mol
LogP1.58
Rot. Bonds2

About 2-propan-2-yloxy-4-(trifluoromethyl)-1H-pyrimidin-6-one

2-propan-2-yloxy-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 135442232) has the molecular formula C8H9F3N2O2 and a molecular weight of 222.17 g/mol. Its IUPAC name is 2-propan-2-yloxy-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-propan-2-yloxy-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID135442232
Molecular FormulaC8H9F3N2O2
Molecular Weight222.17 g/mol
Exact Mass222.06
IUPAC Name2-propan-2-yloxy-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCC(C)Oc1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C8H9F3N2O2/c1-4(2)15-7-12-5(8(9,10)11)3-6(14)13-7/h3-4H,1-2H3,(H,12,13,14)
InChIKeySEOQOJYLMCNCKC-UHFFFAOYSA-N
XLogP1.58
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-propan-2-yloxy-4-(trifluoromethyl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-propan-2-yloxy-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 135442232) is 2-propan-2-yloxy-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-propan-2-yloxy-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-propan-2-yloxy-4-(trifluoromethyl)-1H-pyrimidin-6-one is CC(C)Oc1nc(C(F)(F)F)cc(=O)[nH]1.
What is the InChIKey of 2-propan-2-yloxy-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is SEOQOJYLMCNCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2/c1-4(2)15-7-12-5(8(9,10)11)3-6(14)13-7/h3-4H,1-2H3,(H,12,13,14).
What are the key properties of 2-propan-2-yloxy-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-propan-2-yloxy-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 222.17 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135442232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).