[5-[methyl(2,2,2-trifluoroethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol

C11H16F3N3O — CID 62088137

IUPAC[5-[methyl(2,2,2-trifluoroethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol
SMILESCC(C)c1ncc(N(C)CC(F)(F)F)c(CO)n1
InChIInChI=1S/C11H16F3N3O/c1-7(2)10-15-4-9(8(5-18)16-10)17(3)6-11(12,13)14/h4,7,18H,5-6H2,1-3H3
InChIKeyWKCIRZNDPRLZRE-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.09
Rot. Bonds4

About [5-[methyl(2,2,2-trifluoroethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol

[5-[methyl(2,2,2-trifluoroethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol (PubChem CID 62088137) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is [5-[methyl(2,2,2-trifluoroethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[5-[methyl(2,2,2-trifluoroethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol
PubChem CID62088137
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name[5-[methyl(2,2,2-trifluoroethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol
SMILESCC(C)c1ncc(N(C)CC(F)(F)F)c(CO)n1
InChIInChI=1S/C11H16F3N3O/c1-7(2)10-15-4-9(8(5-18)16-10)17(3)6-11(12,13)14/h4,7,18H,5-6H2,1-3H3
InChIKeyWKCIRZNDPRLZRE-UHFFFAOYSA-N
XLogP2.09
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-[methyl(2,2,2-trifluoroethyl)amino]-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-[methyl(2,2,2-trifluoroethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol?
The IUPAC name of [5-[methyl(2,2,2-trifluoroethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol (CID 62088137) is [5-[methyl(2,2,2-trifluoroethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol.
What is the SMILES notation for [5-[methyl(2,2,2-trifluoroethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol?
The canonical SMILES for [5-[methyl(2,2,2-trifluoroethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol is CC(C)c1ncc(N(C)CC(F)(F)F)c(CO)n1.
What is the InChIKey of [5-[methyl(2,2,2-trifluoroethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol?
The InChIKey is WKCIRZNDPRLZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-7(2)10-15-4-9(8(5-18)16-10)17(3)6-11(12,13)14/h4,7,18H,5-6H2,1-3H3.
What are the key properties of [5-[methyl(2,2,2-trifluoroethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol?
[5-[methyl(2,2,2-trifluoroethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol has a molecular weight of 263.26 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[methyl(2,2,2-trifluoroethyl)amino]-2-propan-2-ylpyrimidin-4-yl]methanol is sourced from PubChem (CID 62088137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).