[2-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol

C11H13F3N2O2 — CID 114204995

IUPAC[2-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol
SMILESOCc1cnc(CC2CCCO2)nc1C(F)(F)F
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)10-7(6-17)5-15-9(16-10)4-8-2-1-3-18-8/h5,8,17H,1-4,6H2
InChIKeyKAPSSFVODZJPCO-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.71
Rot. Bonds3

About [2-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol

[2-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol (PubChem CID 114204995) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is [2-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol
PubChem CID114204995
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name[2-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol
SMILESOCc1cnc(CC2CCCO2)nc1C(F)(F)F
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)10-7(6-17)5-15-9(16-10)4-8-2-1-3-18-8/h5,8,17H,1-4,6H2
InChIKeyKAPSSFVODZJPCO-UHFFFAOYSA-N
XLogP1.71
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol 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-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol?
The IUPAC name of [2-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol (CID 114204995) is [2-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol.
What is the SMILES notation for [2-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol?
The canonical SMILES for [2-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol is OCc1cnc(CC2CCCO2)nc1C(F)(F)F.
What is the InChIKey of [2-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol?
The InChIKey is KAPSSFVODZJPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c12-11(13,14)10-7(6-17)5-15-9(16-10)4-8-2-1-3-18-8/h5,8,17H,1-4,6H2.
What are the key properties of [2-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol?
[2-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol has a molecular weight of 262.23 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanol is sourced from PubChem (CID 114204995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).