4-[2-(4-methylpiperazin-1-yl)purin-9-yl]phenol

C16H18N6O — CID 53385801

IUPAC4-[2-(4-methylpiperazin-1-yl)purin-9-yl]phenol
SMILESCN1CCN(c2ncc3ncn(-c4ccc(O)cc4)c3n2)CC1
InChIInChI=1S/C16H18N6O/c1-20-6-8-21(9-7-20)16-17-10-14-15(19-16)22(11-18-14)12-2-4-13(23)5-3-12/h2-5,10-11,23H,6-9H2,1H3
InChIKeyHFJUMCGLXHWKAW-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.27
Rot. Bonds2

About 4-[2-(4-methylpiperazin-1-yl)purin-9-yl]phenol

4-[2-(4-methylpiperazin-1-yl)purin-9-yl]phenol (PubChem CID 53385801) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-[2-(4-methylpiperazin-1-yl)purin-9-yl]phenol.

Molecular Properties

Compound Name4-[2-(4-methylpiperazin-1-yl)purin-9-yl]phenol
PubChem CID53385801
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name4-[2-(4-methylpiperazin-1-yl)purin-9-yl]phenol
SMILESCN1CCN(c2ncc3ncn(-c4ccc(O)cc4)c3n2)CC1
InChIInChI=1S/C16H18N6O/c1-20-6-8-21(9-7-20)16-17-10-14-15(19-16)22(11-18-14)12-2-4-13(23)5-3-12/h2-5,10-11,23H,6-9H2,1H3
InChIKeyHFJUMCGLXHWKAW-UHFFFAOYSA-N
XLogP1.27
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[2-(4-methylpiperazin-1-yl)purin-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

6,8-dimethyl-2-(4-methylpiperazin-1-yl)pteridin-7-one
CID 3232710
8-methyl-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one
CID 3234627
4-[4-[6-amino-9-(4-fluorophenyl)purin-2-yl]piperazin-1-yl]phenol
CID 155102719
2-(4-benzhydrylpiperazin-1-yl)-9-methylpurine
CID 3052976
3-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylic acid
CID 59815650
9-(1H-indazol-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]purine
CID 53385751
9-(1H-indazol-6-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]purin-2-amine
CID 67408968
methyl 1-[9-(1H-indazol-6-yl)purin-2-yl]piperidine-4-carboxylate
CID 53385951
1-[[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-9-pyridin-4-ylpurin-6-yl]-methylamino]propan-2-one
CID 165000825
methyl 4-[6-amino-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]benzoate
CID 155102713
4-[6-amino-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-9-yl]-N-methylbenzamide
CID 155102861
9-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]purine
CID 157018227

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylpiperazin-1-yl)purin-9-yl]phenol?
The IUPAC name of 4-[2-(4-methylpiperazin-1-yl)purin-9-yl]phenol (CID 53385801) is 4-[2-(4-methylpiperazin-1-yl)purin-9-yl]phenol.
What is the SMILES notation for 4-[2-(4-methylpiperazin-1-yl)purin-9-yl]phenol?
The canonical SMILES for 4-[2-(4-methylpiperazin-1-yl)purin-9-yl]phenol is CN1CCN(c2ncc3ncn(-c4ccc(O)cc4)c3n2)CC1.
What is the InChIKey of 4-[2-(4-methylpiperazin-1-yl)purin-9-yl]phenol?
The InChIKey is HFJUMCGLXHWKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-20-6-8-21(9-7-20)16-17-10-14-15(19-16)22(11-18-14)12-2-4-13(23)5-3-12/h2-5,10-11,23H,6-9H2,1H3.
What are the key properties of 4-[2-(4-methylpiperazin-1-yl)purin-9-yl]phenol?
4-[2-(4-methylpiperazin-1-yl)purin-9-yl]phenol has a molecular weight of 310.36 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylpiperazin-1-yl)purin-9-yl]phenol is sourced from PubChem (CID 53385801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).