[5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidin-4-yl]methanol

C10H14F2N2O2 — CID 82007405

IUPAC[5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
SMILESCC(C)c1ncc(OCC(F)F)c(CO)n1
InChIInChI=1S/C10H14F2N2O2/c1-6(2)10-13-3-8(7(4-15)14-10)16-5-9(11)12/h3,6,9,15H,4-5H2,1-2H3
InChIKeyFEOFUSGVDFJXGM-UHFFFAOYSA-N
MW232.23 g/mol
LogP1.74
Rot. Bonds5

About [5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidin-4-yl]methanol

[5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidin-4-yl]methanol (PubChem CID 82007405) has the molecular formula C10H14F2N2O2 and a molecular weight of 232.23 g/mol. Its IUPAC name is [5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
PubChem CID82007405
Molecular FormulaC10H14F2N2O2
Molecular Weight232.23 g/mol
Exact Mass232.10
IUPAC Name[5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidin-4-yl]methanol
SMILESCC(C)c1ncc(OCC(F)F)c(CO)n1
InChIInChI=1S/C10H14F2N2O2/c1-6(2)10-13-3-8(7(4-15)14-10)16-5-9(11)12/h3,6,9,15H,4-5H2,1-2H3
InChIKeyFEOFUSGVDFJXGM-UHFFFAOYSA-N
XLogP1.74
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidin-4-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 [5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidin-4-yl]methanol?
The IUPAC name of [5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidin-4-yl]methanol (CID 82007405) is [5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidin-4-yl]methanol.
What is the SMILES notation for [5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidin-4-yl]methanol?
The canonical SMILES for [5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidin-4-yl]methanol is CC(C)c1ncc(OCC(F)F)c(CO)n1.
What is the InChIKey of [5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidin-4-yl]methanol?
The InChIKey is FEOFUSGVDFJXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2/c1-6(2)10-13-3-8(7(4-15)14-10)16-5-9(11)12/h3,6,9,15H,4-5H2,1-2H3.
What are the key properties of [5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidin-4-yl]methanol?
[5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidin-4-yl]methanol has a molecular weight of 232.23 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidin-4-yl]methanol is sourced from PubChem (CID 82007405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).