6-N-cyclopropyl-2-N-methyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine

C12H13F6N3 — CID 102718099

IUPAC6-N-cyclopropyl-2-N-methyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCNc1cc(C(F)(F)F)cc(N(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C12H13F6N3/c1-19-9-4-7(12(16,17)18)5-10(20-9)21(8-2-3-8)6-11(13,14)15/h4-5,8H,2-3,6H2,1H3,(H,19,20)
InChIKeyQMEZGXOAWPDRON-UHFFFAOYSA-N
MW313.25 g/mol
LogP3.67
Rot. Bonds4

About 6-N-cyclopropyl-2-N-methyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine

6-N-cyclopropyl-2-N-methyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102718099) has the molecular formula C12H13F6N3 and a molecular weight of 313.25 g/mol. Its IUPAC name is 6-N-cyclopropyl-2-N-methyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-cyclopropyl-2-N-methyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102718099
Molecular FormulaC12H13F6N3
Molecular Weight313.25 g/mol
Exact Mass313.10
IUPAC Name6-N-cyclopropyl-2-N-methyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCNc1cc(C(F)(F)F)cc(N(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C12H13F6N3/c1-19-9-4-7(12(16,17)18)5-10(20-9)21(8-2-3-8)6-11(13,14)15/h4-5,8H,2-3,6H2,1H3,(H,19,20)
InChIKeyQMEZGXOAWPDRON-UHFFFAOYSA-N
XLogP3.67
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.25
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopropyl-2-N-methyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-cyclopropyl-2-N-methyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102718099) is 6-N-cyclopropyl-2-N-methyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-cyclopropyl-2-N-methyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-cyclopropyl-2-N-methyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine is CNc1cc(C(F)(F)F)cc(N(CC(F)(F)F)C2CC2)n1.
What is the InChIKey of 6-N-cyclopropyl-2-N-methyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is QMEZGXOAWPDRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F6N3/c1-19-9-4-7(12(16,17)18)5-10(20-9)21(8-2-3-8)6-11(13,14)15/h4-5,8H,2-3,6H2,1H3,(H,19,20).
What are the key properties of 6-N-cyclopropyl-2-N-methyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-cyclopropyl-2-N-methyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 313.25 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopropyl-2-N-methyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102718099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).