2-chloro-3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methylpurin-9-yl]phenol

C22H21ClN6O2 — CID 155102768

IUPAC2-chloro-3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methylpurin-9-yl]phenol
SMILESCc1nc(N2CCN(c3ccc(O)cc3)CC2)nc2c1ncn2-c1cccc(O)c1Cl
InChIInChI=1S/C22H21ClN6O2/c1-14-20-21(29(13-24-20)17-3-2-4-18(31)19(17)23)26-22(25-14)28-11-9-27(10-12-28)15-5-7-16(30)8-6-15/h2-8,13,30-31H,9-12H2,1H3
InChIKeyIDJPPTAGOTWHJY-UHFFFAOYSA-N
MW436.90 g/mol
LogP3.52
Rot. Bonds3

About 2-chloro-3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methylpurin-9-yl]phenol

2-chloro-3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methylpurin-9-yl]phenol (PubChem CID 155102768) has the molecular formula C22H21ClN6O2 and a molecular weight of 436.90 g/mol. Its IUPAC name is 2-chloro-3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methylpurin-9-yl]phenol.

Molecular Properties

Compound Name2-chloro-3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methylpurin-9-yl]phenol
PubChem CID155102768
Molecular FormulaC22H21ClN6O2
Molecular Weight436.90 g/mol
Exact Mass436.14
IUPAC Name2-chloro-3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methylpurin-9-yl]phenol
SMILESCc1nc(N2CCN(c3ccc(O)cc3)CC2)nc2c1ncn2-c1cccc(O)c1Cl
InChIInChI=1S/C22H21ClN6O2/c1-14-20-21(29(13-24-20)17-3-2-4-18(31)19(17)23)26-22(25-14)28-11-9-27(10-12-28)15-5-7-16(30)8-6-15/h2-8,13,30-31H,9-12H2,1H3
InChIKeyIDJPPTAGOTWHJY-UHFFFAOYSA-N
XLogP3.52
TPSA90.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-chloro-3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methylpurin-9-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

Related Compounds

2-chloro-9-(2-chloro-3-methoxyphenyl)-6-methylpurine;2-chloro-3-(2-chloro-6-methylpurin-9-yl)phenol;2-chloro-3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methylpurin-9-yl]phenol;(2-chloro-3-methoxyphenyl)boronic acid;2-chloro-6-methyl-7H-purine;4-piperazin-1-ylphenol
CID 165025031
4-[4-[9-(2-hydroxyethyl)-6-methylpurin-2-yl]piperazin-1-yl]phenol
CID 155102762
4-[4-[6-amino-9-(4-fluorophenyl)purin-2-yl]piperazin-1-yl]phenol
CID 155102719
4-[6-amino-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]-N-methylbenzamide
CID 155102861
methyl 4-[6-amino-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]benzoate
CID 155102713
4-[4-(6-indazol-1-yl-9-pyridin-3-ylpurin-2-yl)piperazin-1-yl]phenol
CID 155102877
1-[[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]-methylamino]propan-2-one
CID 165000825
2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]propanoic acid
CID 155102938
4-[2-(4-methylpiperazin-1-yl)purin-9-yl]phenol
CID 53385801
2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-2-ylpurin-9-yl]propanoic acid
CID 155102684
4-[9-(4-methylphenyl)-6-thiomorpholin-4-ylpurin-2-yl]phenol
CID 135932597
4-[9-(4-methylphenyl)-6-pyrrolidin-1-ylpurin-2-yl]phenol
CID 135932610

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methylpurin-9-yl]phenol?
The IUPAC name of 2-chloro-3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methylpurin-9-yl]phenol (CID 155102768) is 2-chloro-3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methylpurin-9-yl]phenol.
What is the SMILES notation for 2-chloro-3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methylpurin-9-yl]phenol?
The canonical SMILES for 2-chloro-3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methylpurin-9-yl]phenol is Cc1nc(N2CCN(c3ccc(O)cc3)CC2)nc2c1ncn2-c1cccc(O)c1Cl.
What is the InChIKey of 2-chloro-3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methylpurin-9-yl]phenol?
The InChIKey is IDJPPTAGOTWHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O2/c1-14-20-21(29(13-24-20)17-3-2-4-18(31)19(17)23)26-22(25-14)28-11-9-27(10-12-28)15-5-7-16(30)8-6-15/h2-8,13,30-31H,9-12H2,1H3.
What are the key properties of 2-chloro-3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methylpurin-9-yl]phenol?
2-chloro-3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methylpurin-9-yl]phenol has a molecular weight of 436.90 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-methylpurin-9-yl]phenol is sourced from PubChem (CID 155102768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).