2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purin-6-amine

C14H16N8 — CID 117079664

IUPAC2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purin-6-amine
SMILESNc1nc(N2CCN(c3ccccn3)CC2)nc2nc[nH]c12
InChIInChI=1S/C14H16N8/c15-12-11-13(18-9-17-11)20-14(19-12)22-7-5-21(6-8-22)10-3-1-2-4-16-10/h1-4,9H,5-8H2,(H3,15,17,18,19,20)
InChIKeyMQSUMWNXIJEVCO-UHFFFAOYSA-N
MW296.34 g/mol
LogP0.66
Rot. Bonds2

About 2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purin-6-amine

2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purin-6-amine (PubChem CID 117079664) has the molecular formula C14H16N8 and a molecular weight of 296.34 g/mol. Its IUPAC name is 2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purin-6-amine.

Molecular Properties

Compound Name2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purin-6-amine
PubChem CID117079664
Molecular FormulaC14H16N8
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purin-6-amine
SMILESNc1nc(N2CCN(c3ccccn3)CC2)nc2nc[nH]c12
InChIInChI=1S/C14H16N8/c15-12-11-13(18-9-17-11)20-14(19-12)22-7-5-21(6-8-22)10-3-1-2-4-16-10/h1-4,9H,5-8H2,(H3,15,17,18,19,20)
InChIKeyMQSUMWNXIJEVCO-UHFFFAOYSA-N
XLogP0.66
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(1-phenylethyl)piperazin-1-yl]-7H-purin-6-amine
CID 167970704
6-(3-methylphenoxy)-2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purine
CID 165412413
N-(2-phenoxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purin-6-amine
CID 117080800
2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine
CID 4907991
4-N,5-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,6-diamine
CID 22329454
2-(3-phenoxypiperidin-1-yl)-7H-purin-6-amine
CID 167752337
6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 78910390
1-[4-(3,5-diaminopiperidin-1-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 21103668
(3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 58949154
[1-(6-amino-7H-purin-2-yl)pyrrolidin-2-yl]methanol
CID 117080644
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19137203

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purin-6-amine?
The IUPAC name of 2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purin-6-amine (CID 117079664) is 2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purin-6-amine.
What is the SMILES notation for 2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purin-6-amine?
The canonical SMILES for 2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purin-6-amine is Nc1nc(N2CCN(c3ccccn3)CC2)nc2nc[nH]c12.
What is the InChIKey of 2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purin-6-amine?
The InChIKey is MQSUMWNXIJEVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N8/c15-12-11-13(18-9-17-11)20-14(19-12)22-7-5-21(6-8-22)10-3-1-2-4-16-10/h1-4,9H,5-8H2,(H3,15,17,18,19,20).
What are the key properties of 2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purin-6-amine?
2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purin-6-amine has a molecular weight of 296.34 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purin-6-amine is sourced from PubChem (CID 117079664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).