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

C16H23F3N6O — CID 169018961

IUPACN-tert-butyl-4-[(1-tert-butyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)(C)Nc1nc(OCc2cn(C(C)(C)C)nn2)cc(C(F)(F)F)n1
InChIInChI=1S/C16H23F3N6O/c1-14(2,3)22-13-20-11(16(17,18)19)7-12(21-13)26-9-10-8-25(24-23-10)15(4,5)6/h7-8H,9H2,1-6H3,(H,20,21,22)
InChIKeyZGYRZIUORPBQOM-UHFFFAOYSA-N
MW372.40 g/mol
LogP3.63
Rot. Bonds4

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

N-tert-butyl-4-[(1-tert-butyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 169018961) has the molecular formula C16H23F3N6O and a molecular weight of 372.40 g/mol. Its IUPAC name is N-tert-butyl-4-[(1-tert-butyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-4-[(1-tert-butyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID169018961
Molecular FormulaC16H23F3N6O
Molecular Weight372.40 g/mol
Exact Mass372.19
IUPAC NameN-tert-butyl-4-[(1-tert-butyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)(C)Nc1nc(OCc2cn(C(C)(C)C)nn2)cc(C(F)(F)F)n1
InChIInChI=1S/C16H23F3N6O/c1-14(2,3)22-13-20-11(16(17,18)19)7-12(21-13)26-9-10-8-25(24-23-10)15(4,5)6/h7-8H,9H2,1-6H3,(H,20,21,22)
InChIKeyZGYRZIUORPBQOM-UHFFFAOYSA-N
XLogP3.63
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[(1-tert-butyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-tert-butyl-4-[(1-tert-butyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidin-2-amine (CID 169018961) is N-tert-butyl-4-[(1-tert-butyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-tert-butyl-4-[(1-tert-butyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-tert-butyl-4-[(1-tert-butyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidin-2-amine is CC(C)(C)Nc1nc(OCc2cn(C(C)(C)C)nn2)cc(C(F)(F)F)n1.
What is the InChIKey of N-tert-butyl-4-[(1-tert-butyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is ZGYRZIUORPBQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N6O/c1-14(2,3)22-13-20-11(16(17,18)19)7-12(21-13)26-9-10-8-25(24-23-10)15(4,5)6/h7-8H,9H2,1-6H3,(H,20,21,22).
What are the key properties of N-tert-butyl-4-[(1-tert-butyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidin-2-amine?
N-tert-butyl-4-[(1-tert-butyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 372.40 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[(1-tert-butyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 169018961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).