2-N-ethyl-6-N-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)pyridine-2,6-diamine

C13H20F3N5 — CID 102719089

IUPAC2-N-ethyl-6-N-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCCNc1cc(C(F)(F)F)cc(NN2CCN(C)CC2)n1
InChIInChI=1S/C13H20F3N5/c1-3-17-11-8-10(13(14,15)16)9-12(18-11)19-21-6-4-20(2)5-7-21/h8-9H,3-7H2,1-2H3,(H2,17,18,19)
InChIKeyITKBEHYBLNCICY-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.11
Rot. Bonds4

About 2-N-ethyl-6-N-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)pyridine-2,6-diamine

2-N-ethyl-6-N-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102719089) has the molecular formula C13H20F3N5 and a molecular weight of 303.33 g/mol. Its IUPAC name is 2-N-ethyl-6-N-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102719089
Molecular FormulaC13H20F3N5
Molecular Weight303.33 g/mol
Exact Mass303.17
IUPAC Name2-N-ethyl-6-N-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCCNc1cc(C(F)(F)F)cc(NN2CCN(C)CC2)n1
InChIInChI=1S/C13H20F3N5/c1-3-17-11-8-10(13(14,15)16)9-12(18-11)19-21-6-4-20(2)5-7-21/h8-9H,3-7H2,1-2H3,(H2,17,18,19)
InChIKeyITKBEHYBLNCICY-UHFFFAOYSA-N
XLogP2.11
TPSA43.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102719089) is 2-N-ethyl-6-N-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)pyridine-2,6-diamine is CCNc1cc(C(F)(F)F)cc(NN2CCN(C)CC2)n1.
What is the InChIKey of 2-N-ethyl-6-N-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is ITKBEHYBLNCICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N5/c1-3-17-11-8-10(13(14,15)16)9-12(18-11)19-21-6-4-20(2)5-7-21/h8-9H,3-7H2,1-2H3,(H2,17,18,19).
What are the key properties of 2-N-ethyl-6-N-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
2-N-ethyl-6-N-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 303.33 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-N-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102719089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).