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

C19H22N8 — CID 56948749

IUPAC4-N-methyl-6-(2-piperazin-1-yl-4-pyridinyl)-2-N-pyrazin-2-ylpyridine-2,4-diamine
SMILESCNc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCNCC3)c2)c1
InChIInChI=1S/C19H22N8/c1-20-15-11-16(25-17(12-15)26-18-13-22-4-5-23-18)14-2-3-24-19(10-14)27-8-6-21-7-9-27/h2-5,10-13,21H,6-9H2,1H3,(H2,20,23,25,26)
InChIKeyOLEBEUBXGRKYMQ-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.13
Rot. Bonds5

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

4-N-methyl-6-(2-piperazin-1-yl-4-pyridinyl)-2-N-pyrazin-2-ylpyridine-2,4-diamine (PubChem CID 56948749) has the molecular formula C19H22N8 and a molecular weight of 362.44 g/mol. Its IUPAC name is 4-N-methyl-6-(2-piperazin-1-yl-4-pyridinyl)-2-N-pyrazin-2-ylpyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-6-(2-piperazin-1-yl-4-pyridinyl)-2-N-pyrazin-2-ylpyridine-2,4-diamine
PubChem CID56948749
Molecular FormulaC19H22N8
Molecular Weight362.44 g/mol
Exact Mass362.20
IUPAC Name4-N-methyl-6-(2-piperazin-1-yl-4-pyridinyl)-2-N-pyrazin-2-ylpyridine-2,4-diamine
SMILESCNc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCNCC3)c2)c1
InChIInChI=1S/C19H22N8/c1-20-15-11-16(25-17(12-15)26-18-13-22-4-5-23-18)14-2-3-24-19(10-14)27-8-6-21-7-9-27/h2-5,10-13,21H,6-9H2,1H3,(H2,20,23,25,26)
InChIKeyOLEBEUBXGRKYMQ-UHFFFAOYSA-N
XLogP2.13
TPSA90.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-(2-piperazin-1-yl-4-pyridinyl)-2-N-pyrazin-2-ylpyridine-2,4-diamine?
The IUPAC name of 4-N-methyl-6-(2-piperazin-1-yl-4-pyridinyl)-2-N-pyrazin-2-ylpyridine-2,4-diamine (CID 56948749) is 4-N-methyl-6-(2-piperazin-1-yl-4-pyridinyl)-2-N-pyrazin-2-ylpyridine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-6-(2-piperazin-1-yl-4-pyridinyl)-2-N-pyrazin-2-ylpyridine-2,4-diamine?
The canonical SMILES for 4-N-methyl-6-(2-piperazin-1-yl-4-pyridinyl)-2-N-pyrazin-2-ylpyridine-2,4-diamine is CNc1cc(Nc2cnccn2)nc(-c2ccnc(N3CCNCC3)c2)c1.
What is the InChIKey of 4-N-methyl-6-(2-piperazin-1-yl-4-pyridinyl)-2-N-pyrazin-2-ylpyridine-2,4-diamine?
The InChIKey is OLEBEUBXGRKYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8/c1-20-15-11-16(25-17(12-15)26-18-13-22-4-5-23-18)14-2-3-24-19(10-14)27-8-6-21-7-9-27/h2-5,10-13,21H,6-9H2,1H3,(H2,20,23,25,26).
What are the key properties of 4-N-methyl-6-(2-piperazin-1-yl-4-pyridinyl)-2-N-pyrazin-2-ylpyridine-2,4-diamine?
4-N-methyl-6-(2-piperazin-1-yl-4-pyridinyl)-2-N-pyrazin-2-ylpyridine-2,4-diamine has a molecular weight of 362.44 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-(2-piperazin-1-yl-4-pyridinyl)-2-N-pyrazin-2-ylpyridine-2,4-diamine is sourced from PubChem (CID 56948749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).