2-methyl-1-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-ol

C10H14F3N3O — CID 78964681

IUPAC2-methyl-1-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-ol
SMILESCN(CC(C)(C)O)c1nccc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O/c1-9(2,17)6-16(3)8-14-5-4-7(15-8)10(11,12)13/h4-5,17H,6H2,1-3H3
InChIKeyJQXBOMCKPQZGRN-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.70
Rot. Bonds3

About 2-methyl-1-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-ol

2-methyl-1-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-ol (PubChem CID 78964681) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 2-methyl-1-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-ol
PubChem CID78964681
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name2-methyl-1-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-ol
SMILESCN(CC(C)(C)O)c1nccc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O/c1-9(2,17)6-16(3)8-14-5-4-7(15-8)10(11,12)13/h4-5,17H,6H2,1-3H3
InChIKeyJQXBOMCKPQZGRN-UHFFFAOYSA-N
XLogP1.70
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-ol (CID 78964681) is 2-methyl-1-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-ol is CN(CC(C)(C)O)c1nccc(C(F)(F)F)n1.
What is the InChIKey of 2-methyl-1-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-ol?
The InChIKey is JQXBOMCKPQZGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-9(2,17)6-16(3)8-14-5-4-7(15-8)10(11,12)13/h4-5,17H,6H2,1-3H3.
What are the key properties of 2-methyl-1-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-ol?
2-methyl-1-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-ol has a molecular weight of 249.24 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-ol is sourced from PubChem (CID 78964681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).