N-methyl-4-(2H-triazol-4-ylmethoxy)-6-(trifluoromethyl)pyrimidin-2-amine

C9H9F3N6O — CID 178103562

IUPACN-methyl-4-(2H-triazol-4-ylmethoxy)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCNc1nc(OCc2cn[nH]n2)cc(C(F)(F)F)n1
InChIInChI=1S/C9H9F3N6O/c1-13-8-15-6(9(10,11)12)2-7(16-8)19-4-5-3-14-18-17-5/h2-3H,4H2,1H3,(H,13,15,16)(H,14,17,18)
InChIKeyLGEXYAFQLJMJLO-UHFFFAOYSA-N
MW274.21 g/mol
LogP1.23
Rot. Bonds4

About N-methyl-4-(2H-triazol-4-ylmethoxy)-6-(trifluoromethyl)pyrimidin-2-amine

N-methyl-4-(2H-triazol-4-ylmethoxy)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 178103562) has the molecular formula C9H9F3N6O and a molecular weight of 274.21 g/mol. Its IUPAC name is N-methyl-4-(2H-triazol-4-ylmethoxy)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(2H-triazol-4-ylmethoxy)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID178103562
Molecular FormulaC9H9F3N6O
Molecular Weight274.21 g/mol
Exact Mass274.08
IUPAC NameN-methyl-4-(2H-triazol-4-ylmethoxy)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCNc1nc(OCc2cn[nH]n2)cc(C(F)(F)F)n1
InChIInChI=1S/C9H9F3N6O/c1-13-8-15-6(9(10,11)12)2-7(16-8)19-4-5-3-14-18-17-5/h2-3H,4H2,1H3,(H,13,15,16)(H,14,17,18)
InChIKeyLGEXYAFQLJMJLO-UHFFFAOYSA-N
XLogP1.23
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.21
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2H-triazol-4-ylmethoxy)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-methyl-4-(2H-triazol-4-ylmethoxy)-6-(trifluoromethyl)pyrimidin-2-amine (CID 178103562) is N-methyl-4-(2H-triazol-4-ylmethoxy)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-(2H-triazol-4-ylmethoxy)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-methyl-4-(2H-triazol-4-ylmethoxy)-6-(trifluoromethyl)pyrimidin-2-amine is CNc1nc(OCc2cn[nH]n2)cc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-4-(2H-triazol-4-ylmethoxy)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is LGEXYAFQLJMJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N6O/c1-13-8-15-6(9(10,11)12)2-7(16-8)19-4-5-3-14-18-17-5/h2-3H,4H2,1H3,(H,13,15,16)(H,14,17,18).
What are the key properties of N-methyl-4-(2H-triazol-4-ylmethoxy)-6-(trifluoromethyl)pyrimidin-2-amine?
N-methyl-4-(2H-triazol-4-ylmethoxy)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 274.21 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2H-triazol-4-ylmethoxy)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 178103562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).