6-(2,4-dimethylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridin-2-amine

C12H16F3N3 — CID 102719451

IUPAC6-(2,4-dimethylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCC1CC(C)N(c2cc(C(F)(F)F)cc(N)n2)C1
InChIInChI=1S/C12H16F3N3/c1-7-3-8(2)18(6-7)11-5-9(12(13,14)15)4-10(16)17-11/h4-5,7-8H,3,6H2,1-2H3,(H2,16,17)
InChIKeyIMCDZVVLVAWDNF-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.92
Rot. Bonds1

About 6-(2,4-dimethylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridin-2-amine

6-(2,4-dimethylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102719451) has the molecular formula C12H16F3N3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 6-(2,4-dimethylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(2,4-dimethylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102719451
Molecular FormulaC12H16F3N3
Molecular Weight259.27 g/mol
Exact Mass259.13
IUPAC Name6-(2,4-dimethylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCC1CC(C)N(c2cc(C(F)(F)F)cc(N)n2)C1
InChIInChI=1S/C12H16F3N3/c1-7-3-8(2)18(6-7)11-5-9(12(13,14)15)4-10(16)17-11/h4-5,7-8H,3,6H2,1-2H3,(H2,16,17)
InChIKeyIMCDZVVLVAWDNF-UHFFFAOYSA-N
XLogP2.92
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(trifluoromethyl)-6-(2,3,5-trimethylpiperidin-1-yl)-2-pyridinyl]hydrazine
CID 102721159
6-(2,4-dimethylpyrrolidin-1-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773251
6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102718838
6-(azocan-1-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102717213
6-bromo-2-(2,4-dimethylpyrrolidin-1-yl)pyrimidin-4-amine
CID 116797521
4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2,5-dimethylmorpholine
CID 102715513
6-(3-methylsulfonylthiomorpholin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102718841
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102718121
1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol
CID 102717208
[1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]azepan-2-yl]methanol
CID 102719469
methyl N-[1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate
CID 102719156
2-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 102716047

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-(2,4-dimethylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridin-2-amine (CID 102719451) is 6-(2,4-dimethylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-(2,4-dimethylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-(2,4-dimethylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridin-2-amine is CC1CC(C)N(c2cc(C(F)(F)F)cc(N)n2)C1.
What is the InChIKey of 6-(2,4-dimethylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is IMCDZVVLVAWDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3/c1-7-3-8(2)18(6-7)11-5-9(12(13,14)15)4-10(16)17-11/h4-5,7-8H,3,6H2,1-2H3,(H2,16,17).
What are the key properties of 6-(2,4-dimethylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridin-2-amine?
6-(2,4-dimethylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 259.27 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylpyrrolidin-1-yl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102719451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).