4-[4-[6-(2-hydroxyethylamino)-9-pyridin-3-ylpurin-2-yl]piperazin-1-yl]phenol

C22H24N8O2 — CID 155102708

IUPAC4-[4-[6-(2-hydroxyethylamino)-9-pyridin-3-ylpurin-2-yl]piperazin-1-yl]phenol
SMILESOCCNc1nc(N2CCN(c3ccc(O)cc3)CC2)nc2c1ncn2-c1cccnc1
InChIInChI=1S/C22H24N8O2/c31-13-8-24-20-19-21(30(15-25-19)17-2-1-7-23-14-17)27-22(26-20)29-11-9-28(10-12-29)16-3-5-18(32)6-4-16/h1-7,14-15,31-32H,8-13H2,(H,24,26,27)
InChIKeyKJCAUCKJYAAKMV-UHFFFAOYSA-N
MW432.49 g/mol
LogP1.65
Rot. Bonds6

About 4-[4-[6-(2-hydroxyethylamino)-9-pyridin-3-ylpurin-2-yl]piperazin-1-yl]phenol

4-[4-[6-(2-hydroxyethylamino)-9-pyridin-3-ylpurin-2-yl]piperazin-1-yl]phenol (PubChem CID 155102708) has the molecular formula C22H24N8O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is 4-[4-[6-(2-hydroxyethylamino)-9-pyridin-3-ylpurin-2-yl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-[6-(2-hydroxyethylamino)-9-pyridin-3-ylpurin-2-yl]piperazin-1-yl]phenol
PubChem CID155102708
Molecular FormulaC22H24N8O2
Molecular Weight432.49 g/mol
Exact Mass432.20
IUPAC Name4-[4-[6-(2-hydroxyethylamino)-9-pyridin-3-ylpurin-2-yl]piperazin-1-yl]phenol
SMILESOCCNc1nc(N2CCN(c3ccc(O)cc3)CC2)nc2c1ncn2-c1cccnc1
InChIInChI=1S/C22H24N8O2/c31-13-8-24-20-19-21(30(15-25-19)17-2-1-7-23-14-17)27-22(26-20)29-11-9-28(10-12-29)16-3-5-18(32)6-4-16/h1-7,14-15,31-32H,8-13H2,(H,24,26,27)
InChIKeyKJCAUCKJYAAKMV-UHFFFAOYSA-N
XLogP1.65
TPSA115.46 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 4-[4-[6-(2-hydroxyethylamino)-9-pyridin-3-ylpurin-2-yl]piperazin-1-yl]phenol 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 4-[4-[6-(2-hydroxyethylamino)-9-pyridin-3-ylpurin-2-yl]piperazin-1-yl]phenol?
The IUPAC name of 4-[4-[6-(2-hydroxyethylamino)-9-pyridin-3-ylpurin-2-yl]piperazin-1-yl]phenol (CID 155102708) is 4-[4-[6-(2-hydroxyethylamino)-9-pyridin-3-ylpurin-2-yl]piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-[6-(2-hydroxyethylamino)-9-pyridin-3-ylpurin-2-yl]piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-[6-(2-hydroxyethylamino)-9-pyridin-3-ylpurin-2-yl]piperazin-1-yl]phenol is OCCNc1nc(N2CCN(c3ccc(O)cc3)CC2)nc2c1ncn2-c1cccnc1.
What is the InChIKey of 4-[4-[6-(2-hydroxyethylamino)-9-pyridin-3-ylpurin-2-yl]piperazin-1-yl]phenol?
The InChIKey is KJCAUCKJYAAKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O2/c31-13-8-24-20-19-21(30(15-25-19)17-2-1-7-23-14-17)27-22(26-20)29-11-9-28(10-12-29)16-3-5-18(32)6-4-16/h1-7,14-15,31-32H,8-13H2,(H,24,26,27).
What are the key properties of 4-[4-[6-(2-hydroxyethylamino)-9-pyridin-3-ylpurin-2-yl]piperazin-1-yl]phenol?
4-[4-[6-(2-hydroxyethylamino)-9-pyridin-3-ylpurin-2-yl]piperazin-1-yl]phenol has a molecular weight of 432.49 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(2-hydroxyethylamino)-9-pyridin-3-ylpurin-2-yl]piperazin-1-yl]phenol is sourced from PubChem (CID 155102708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).