N-methyl-2-[[1-[3-(trifluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidin-4-amine

C15H13F3N6O2 — CID 130309672

IUPACN-methyl-2-[[1-[3-(trifluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidin-4-amine
SMILESCNc1ccnc(OCc2cn(-c3cccc(OC(F)(F)F)c3)nn2)n1
InChIInChI=1S/C15H13F3N6O2/c1-19-13-5-6-20-14(21-13)25-9-10-8-24(23-22-10)11-3-2-4-12(7-11)26-15(16,17)18/h2-8H,9H2,1H3,(H,19,20,21)
InChIKeyFQKHQJKZKWCXAU-UHFFFAOYSA-N
MW366.30 g/mol
LogP2.58
Rot. Bonds6

About N-methyl-2-[[1-[3-(trifluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidin-4-amine

N-methyl-2-[[1-[3-(trifluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidin-4-amine (PubChem CID 130309672) has the molecular formula C15H13F3N6O2 and a molecular weight of 366.30 g/mol. Its IUPAC name is N-methyl-2-[[1-[3-(trifluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-[[1-[3-(trifluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidin-4-amine
PubChem CID130309672
Molecular FormulaC15H13F3N6O2
Molecular Weight366.30 g/mol
Exact Mass366.11
IUPAC NameN-methyl-2-[[1-[3-(trifluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidin-4-amine
SMILESCNc1ccnc(OCc2cn(-c3cccc(OC(F)(F)F)c3)nn2)n1
InChIInChI=1S/C15H13F3N6O2/c1-19-13-5-6-20-14(21-13)25-9-10-8-24(23-22-10)11-3-2-4-12(7-11)26-15(16,17)18/h2-8H,9H2,1H3,(H,19,20,21)
InChIKeyFQKHQJKZKWCXAU-UHFFFAOYSA-N
XLogP2.58
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[1-[3-(trifluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-[[1-[3-(trifluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidin-4-amine (CID 130309672) is N-methyl-2-[[1-[3-(trifluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-[[1-[3-(trifluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-[[1-[3-(trifluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidin-4-amine is CNc1ccnc(OCc2cn(-c3cccc(OC(F)(F)F)c3)nn2)n1.
What is the InChIKey of N-methyl-2-[[1-[3-(trifluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidin-4-amine?
The InChIKey is FQKHQJKZKWCXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N6O2/c1-19-13-5-6-20-14(21-13)25-9-10-8-24(23-22-10)11-3-2-4-12(7-11)26-15(16,17)18/h2-8H,9H2,1H3,(H,19,20,21).
What are the key properties of N-methyl-2-[[1-[3-(trifluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidin-4-amine?
N-methyl-2-[[1-[3-(trifluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidin-4-amine has a molecular weight of 366.30 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[1-[3-(trifluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidin-4-amine is sourced from PubChem (CID 130309672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).