4-[(1-methyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidin-2-amine

C9H9F3N6O — CID 178103653

IUPAC4-[(1-methyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCn1cc(COc2cc(C(F)(F)F)nc(N)n2)nn1
InChIInChI=1S/C9H9F3N6O/c1-18-3-5(16-17-18)4-19-7-2-6(9(10,11)12)14-8(13)15-7/h2-3H,4H2,1H3,(H2,13,14,15)
InChIKeyVPBBNJHJFURHAV-UHFFFAOYSA-N
MW274.21 g/mol
LogP0.79
Rot. Bonds3

About 4-[(1-methyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidin-2-amine

4-[(1-methyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 178103653) has the molecular formula C9H9F3N6O and a molecular weight of 274.21 g/mol. Its IUPAC name is 4-[(1-methyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(1-methyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID178103653
Molecular FormulaC9H9F3N6O
Molecular Weight274.21 g/mol
Exact Mass274.08
IUPAC Name4-[(1-methyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCn1cc(COc2cc(C(F)(F)F)nc(N)n2)nn1
InChIInChI=1S/C9H9F3N6O/c1-18-3-5(16-17-18)4-19-7-2-6(9(10,11)12)14-8(13)15-7/h2-3H,4H2,1H3,(H2,13,14,15)
InChIKeyVPBBNJHJFURHAV-UHFFFAOYSA-N
XLogP0.79
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.21
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-[(1-methyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidin-2-amine (CID 178103653) is 4-[(1-methyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[(1-methyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-[(1-methyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidin-2-amine is Cn1cc(COc2cc(C(F)(F)F)nc(N)n2)nn1.
What is the InChIKey of 4-[(1-methyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is VPBBNJHJFURHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N6O/c1-18-3-5(16-17-18)4-19-7-2-6(9(10,11)12)14-8(13)15-7/h2-3H,4H2,1H3,(H2,13,14,15).
What are the key properties of 4-[(1-methyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidin-2-amine?
4-[(1-methyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 274.21 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyltriazol-4-yl)methoxy]-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 178103653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).