6-N-(1-cyclopropylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine

C13H17F3N4 — CID 102718149

IUPAC6-N-(1-cyclopropylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESNc1cc(C(F)(F)F)cc(NC2CCN(C3CC3)C2)n1
InChIInChI=1S/C13H17F3N4/c14-13(15,16)8-5-11(17)19-12(6-8)18-9-3-4-20(7-9)10-1-2-10/h5-6,9-10H,1-4,7H2,(H3,17,18,19)
InChIKeyXOTWTXLCCCDSRU-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.33
Rot. Bonds3

About 6-N-(1-cyclopropylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine

6-N-(1-cyclopropylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102718149) has the molecular formula C13H17F3N4 and a molecular weight of 286.30 g/mol. Its IUPAC name is 6-N-(1-cyclopropylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(1-cyclopropylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102718149
Molecular FormulaC13H17F3N4
Molecular Weight286.30 g/mol
Exact Mass286.14
IUPAC Name6-N-(1-cyclopropylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESNc1cc(C(F)(F)F)cc(NC2CCN(C3CC3)C2)n1
InChIInChI=1S/C13H17F3N4/c14-13(15,16)8-5-11(17)19-12(6-8)18-9-3-4-20(7-9)10-1-2-10/h5-6,9-10H,1-4,7H2,(H3,17,18,19)
InChIKeyXOTWTXLCCCDSRU-UHFFFAOYSA-N
XLogP2.33
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(1-methylpiperidin-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717481
N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775582
6-N-(1-ethylpiperidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717902
N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80904074
6-N-(2,2-dimethyloxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719095
2-tert-butyl-4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-methylpyrimidine-4,6-diamine
CID 80968131
4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80813186
N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 95180815
6-chloro-N-(1-cyclopropylpyrrolidin-3-yl)-2-methylsulfanylpyrimidin-4-amine
CID 80546981
6-N-(2-methylcycloheptyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718779
4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 80813937
2,6-dichloro-1-N-(1-cyclopropylpyrrolidin-3-yl)benzene-1,4-diamine
CID 106890228

Frequently Asked Questions

What is the IUPAC name of 6-N-(1-cyclopropylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-(1-cyclopropylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102718149) is 6-N-(1-cyclopropylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(1-cyclopropylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-(1-cyclopropylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine is Nc1cc(C(F)(F)F)cc(NC2CCN(C3CC3)C2)n1.
What is the InChIKey of 6-N-(1-cyclopropylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is XOTWTXLCCCDSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4/c14-13(15,16)8-5-11(17)19-12(6-8)18-9-3-4-20(7-9)10-1-2-10/h5-6,9-10H,1-4,7H2,(H3,17,18,19).
What are the key properties of 6-N-(1-cyclopropylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-(1-cyclopropylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 286.30 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1-cyclopropylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102718149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).