6-(2-piperazin-1-yl-4-pyridinyl)-2-N-pyrazin-2-ylpyridine-2,4-diamine

C18H20N8 — CID 67127879

IUPAC6-(2-piperazin-1-yl-4-pyridinyl)-2-N-pyrazin-2-ylpyridine-2,4-diamine
SMILESNc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCNCC3)c2)c1
InChIInChI=1S/C18H20N8/c19-14-10-15(24-16(11-14)25-17-12-21-3-4-22-17)13-1-2-23-18(9-13)26-7-5-20-6-8-26/h1-4,9-12,20H,5-8H2,(H3,19,22,24,25)
InChIKeyZLNAXZLCWQJPEZ-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.67
Rot. Bonds4

About 6-(2-piperazin-1-yl-4-pyridinyl)-2-N-pyrazin-2-ylpyridine-2,4-diamine

6-(2-piperazin-1-yl-4-pyridinyl)-2-N-pyrazin-2-ylpyridine-2,4-diamine (PubChem CID 67127879) has the molecular formula C18H20N8 and a molecular weight of 348.41 g/mol. Its IUPAC name is 6-(2-piperazin-1-yl-4-pyridinyl)-2-N-pyrazin-2-ylpyridine-2,4-diamine.

Molecular Properties

Compound Name6-(2-piperazin-1-yl-4-pyridinyl)-2-N-pyrazin-2-ylpyridine-2,4-diamine
PubChem CID67127879
Molecular FormulaC18H20N8
Molecular Weight348.41 g/mol
Exact Mass348.18
IUPAC Name6-(2-piperazin-1-yl-4-pyridinyl)-2-N-pyrazin-2-ylpyridine-2,4-diamine
SMILESNc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCNCC3)c2)c1
InChIInChI=1S/C18H20N8/c19-14-10-15(24-16(11-14)25-17-12-21-3-4-22-17)13-1-2-23-18(9-13)26-7-5-20-6-8-26/h1-4,9-12,20H,5-8H2,(H3,19,22,24,25)
InChIKeyZLNAXZLCWQJPEZ-UHFFFAOYSA-N
XLogP1.67
TPSA104.88 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-(2-piperazin-1-yl-4-pyridinyl)-2-N-pyrazin-2-ylpyridine-2,4-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2-piperazin-1-yl-4-pyridinyl)-2-N-pyrazin-2-ylpyridine-2,4-diamine?
The IUPAC name of 6-(2-piperazin-1-yl-4-pyridinyl)-2-N-pyrazin-2-ylpyridine-2,4-diamine (CID 67127879) is 6-(2-piperazin-1-yl-4-pyridinyl)-2-N-pyrazin-2-ylpyridine-2,4-diamine.
What is the SMILES notation for 6-(2-piperazin-1-yl-4-pyridinyl)-2-N-pyrazin-2-ylpyridine-2,4-diamine?
The canonical SMILES for 6-(2-piperazin-1-yl-4-pyridinyl)-2-N-pyrazin-2-ylpyridine-2,4-diamine is Nc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCNCC3)c2)c1.
What is the InChIKey of 6-(2-piperazin-1-yl-4-pyridinyl)-2-N-pyrazin-2-ylpyridine-2,4-diamine?
The InChIKey is ZLNAXZLCWQJPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8/c19-14-10-15(24-16(11-14)25-17-12-21-3-4-22-17)13-1-2-23-18(9-13)26-7-5-20-6-8-26/h1-4,9-12,20H,5-8H2,(H3,19,22,24,25).
What are the key properties of 6-(2-piperazin-1-yl-4-pyridinyl)-2-N-pyrazin-2-ylpyridine-2,4-diamine?
6-(2-piperazin-1-yl-4-pyridinyl)-2-N-pyrazin-2-ylpyridine-2,4-diamine has a molecular weight of 348.41 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-piperazin-1-yl-4-pyridinyl)-2-N-pyrazin-2-ylpyridine-2,4-diamine is sourced from PubChem (CID 67127879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).