6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine

C11H13F3N6O — CID 106774850

IUPAC6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCNc1cc(Oc2ncn(C)n2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H13F3N6O/c1-3-4-15-7-5-8(18-9(17-7)11(12,13)14)21-10-16-6-20(2)19-10/h5-6H,3-4H2,1-2H3,(H,15,17,18)
InChIKeyRJADMVQESTUMHJ-UHFFFAOYSA-N
MW302.26 g/mol
LogP2.24
Rot. Bonds5

About 6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine

6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774850) has the molecular formula C11H13F3N6O and a molecular weight of 302.26 g/mol. Its IUPAC name is 6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774850
Molecular FormulaC11H13F3N6O
Molecular Weight302.26 g/mol
Exact Mass302.11
IUPAC Name6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCNc1cc(Oc2ncn(C)n2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H13F3N6O/c1-3-4-15-7-5-8(18-9(17-7)11(12,13)14)21-10-16-6-20(2)19-10/h5-6H,3-4H2,1-2H3,(H,15,17,18)
InChIKeyRJADMVQESTUMHJ-UHFFFAOYSA-N
XLogP2.24
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774850) is 6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine is CCCNc1cc(Oc2ncn(C)n2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is RJADMVQESTUMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N6O/c1-3-4-15-7-5-8(18-9(17-7)11(12,13)14)21-10-16-6-20(2)19-10/h5-6H,3-4H2,1-2H3,(H,15,17,18).
What are the key properties of 6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 302.26 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).