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

C14H21F3N4 — CID 102718349

IUPAC2-N-ethyl-6-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCCNc1cc(C(F)(F)F)cc(NCCN2CCCC2)n1
InChIInChI=1S/C14H21F3N4/c1-2-18-12-9-11(14(15,16)17)10-13(20-12)19-5-8-21-6-3-4-7-21/h9-10H,2-8H2,1H3,(H2,18,19,20)
InChIKeyIKNILQDZWTXZTB-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.04
Rot. Bonds6

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

2-N-ethyl-6-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102718349) has the molecular formula C14H21F3N4 and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-N-ethyl-6-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102718349
Molecular FormulaC14H21F3N4
Molecular Weight302.34 g/mol
Exact Mass302.17
IUPAC Name2-N-ethyl-6-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCCNc1cc(C(F)(F)F)cc(NCCN2CCCC2)n1
InChIInChI=1S/C14H21F3N4/c1-2-18-12-9-11(14(15,16)17)10-13(20-12)19-5-8-21-6-3-4-7-21/h9-10H,2-8H2,1H3,(H2,18,19,20)
InChIKeyIKNILQDZWTXZTB-UHFFFAOYSA-N
XLogP3.04
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-ethyl-2-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,6-diamine
CID 78990309
6-N-butyl-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717307
N-ethyl-6-piperidin-1-yl-4-(trifluoromethyl)pyridin-2-amine
CID 102717200
6-N-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718410
2-N-ethyl-6-N-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719089
2-N-methyl-4-N-(2-piperidin-1-ylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564539
6-N-[2-(diethylamino)ethyl]-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717287
2-N-ethyl-6-N-[(1-methylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717660
2-N-ethyl-6-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717716
N-[2-(azepan-1-yl)ethyl]-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine
CID 106194008
2-ethyl-6-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80934686
2-N-ethyl-6-N-(1-methylcyclopentyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718695

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102718349) is 2-N-ethyl-6-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine is CCNc1cc(C(F)(F)F)cc(NCCN2CCCC2)n1.
What is the InChIKey of 2-N-ethyl-6-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is IKNILQDZWTXZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4/c1-2-18-12-9-11(14(15,16)17)10-13(20-12)19-5-8-21-6-3-4-7-21/h9-10H,2-8H2,1H3,(H2,18,19,20).
What are the key properties of 2-N-ethyl-6-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
2-N-ethyl-6-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 302.34 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102718349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).