4-[(1-tert-butyltriazol-4-yl)methoxy]-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine

C15H21F3N6O — CID 170094307

IUPAC4-[(1-tert-butyltriazol-4-yl)methoxy]-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)Nc1nc(OCc2cn(C(C)(C)C)nn2)cc(C(F)(F)F)n1
InChIInChI=1S/C15H21F3N6O/c1-9(2)19-13-20-11(15(16,17)18)6-12(21-13)25-8-10-7-24(23-22-10)14(3,4)5/h6-7,9H,8H2,1-5H3,(H,19,20,21)
InChIKeyGZBMAYRERGGYAD-UHFFFAOYSA-N
MW358.37 g/mol
LogP3.24
Rot. Bonds5

About 4-[(1-tert-butyltriazol-4-yl)methoxy]-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine

4-[(1-tert-butyltriazol-4-yl)methoxy]-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 170094307) has the molecular formula C15H21F3N6O and a molecular weight of 358.37 g/mol. Its IUPAC name is 4-[(1-tert-butyltriazol-4-yl)methoxy]-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(1-tert-butyltriazol-4-yl)methoxy]-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID170094307
Molecular FormulaC15H21F3N6O
Molecular Weight358.37 g/mol
Exact Mass358.17
IUPAC Name4-[(1-tert-butyltriazol-4-yl)methoxy]-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)Nc1nc(OCc2cn(C(C)(C)C)nn2)cc(C(F)(F)F)n1
InChIInChI=1S/C15H21F3N6O/c1-9(2)19-13-20-11(15(16,17)18)6-12(21-13)25-8-10-7-24(23-22-10)14(3,4)5/h6-7,9H,8H2,1-5H3,(H,19,20,21)
InChIKeyGZBMAYRERGGYAD-UHFFFAOYSA-N
XLogP3.24
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-tert-butyltriazol-4-yl)methoxy]-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-[(1-tert-butyltriazol-4-yl)methoxy]-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine (CID 170094307) is 4-[(1-tert-butyltriazol-4-yl)methoxy]-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[(1-tert-butyltriazol-4-yl)methoxy]-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-[(1-tert-butyltriazol-4-yl)methoxy]-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine is CC(C)Nc1nc(OCc2cn(C(C)(C)C)nn2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-[(1-tert-butyltriazol-4-yl)methoxy]-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is GZBMAYRERGGYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N6O/c1-9(2)19-13-20-11(15(16,17)18)6-12(21-13)25-8-10-7-24(23-22-10)14(3,4)5/h6-7,9H,8H2,1-5H3,(H,19,20,21).
What are the key properties of 4-[(1-tert-butyltriazol-4-yl)methoxy]-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine?
4-[(1-tert-butyltriazol-4-yl)methoxy]-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 358.37 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-tert-butyltriazol-4-yl)methoxy]-N-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 170094307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).