6-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine

C13H19F3N4 — CID 102718436

IUPAC6-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCN(CCN1CCCC1)c1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C13H19F3N4/c1-19(6-7-20-4-2-3-5-20)12-9-10(13(14,15)16)8-11(17)18-12/h8-9H,2-7H2,1H3,(H2,17,18)
InChIKeyQMEOJQZRFWGNEZ-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.21
Rot. Bonds4

About 6-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine

6-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102718436) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is 6-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102718436
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC Name6-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCN(CCN1CCCC1)c1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C13H19F3N4/c1-19(6-7-20-4-2-3-5-20)12-9-10(13(14,15)16)8-11(17)18-12/h8-9H,2-7H2,1H3,(H2,17,18)
InChIKeyQMEOJQZRFWGNEZ-UHFFFAOYSA-N
XLogP2.21
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine
CID 78926170
6-N-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718410
6-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,3,6-triamine
CID 79826659
5-N-methyl-5-N-(2-pyrrolidin-1-ylethyl)-1,2-thiazole-3,5-diamine
CID 103362877
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone
CID 106771112
6-N-[(2-fluorophenyl)methyl]-6-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717744
4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772433
6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 115416967
4-N-butyl-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106769909
6-N-methyl-6-N-[(5-methylfuran-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717523
ethane;6-N-methyl-6-N-(2-morpholin-4-ylethyl)-4-N,4-N-dipropylpyridine-2,4,6-triamine
CID 143533372
6-N-methyl-6-N-(2-methylcyclohexyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718072

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102718436) is 6-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine is CN(CCN1CCCC1)c1cc(C(F)(F)F)cc(N)n1.
What is the InChIKey of 6-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is QMEOJQZRFWGNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c1-19(6-7-20-4-2-3-5-20)12-9-10(13(14,15)16)8-11(17)18-12/h8-9H,2-7H2,1H3,(H2,17,18).
What are the key properties of 6-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 288.32 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102718436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).