1-(4-benzylpiperazin-1-yl)-3-(7H-purin-6-ylsulfanyl)propan-2-ol

C19H24N6OS — CID 10362610

IUPAC1-(4-benzylpiperazin-1-yl)-3-(7H-purin-6-ylsulfanyl)propan-2-ol
SMILESOC(CSc1ncnc2nc[nH]c12)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H24N6OS/c26-16(12-27-19-17-18(21-13-20-17)22-14-23-19)11-25-8-6-24(7-9-25)10-15-4-2-1-3-5-15/h1-5,13-14,16,26H,6-12H2,(H,20,21,22,23)
InChIKeyHGSOFUPHYMWFAM-UHFFFAOYSA-N
MW384.51 g/mol
LogP1.62
Rot. Bonds7

About 1-(4-benzylpiperazin-1-yl)-3-(7H-purin-6-ylsulfanyl)propan-2-ol

1-(4-benzylpiperazin-1-yl)-3-(7H-purin-6-ylsulfanyl)propan-2-ol (PubChem CID 10362610) has the molecular formula C19H24N6OS and a molecular weight of 384.51 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-3-(7H-purin-6-ylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-3-(7H-purin-6-ylsulfanyl)propan-2-ol
PubChem CID10362610
Molecular FormulaC19H24N6OS
Molecular Weight384.51 g/mol
Exact Mass384.17
IUPAC Name1-(4-benzylpiperazin-1-yl)-3-(7H-purin-6-ylsulfanyl)propan-2-ol
SMILESOC(CSc1ncnc2nc[nH]c12)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H24N6OS/c26-16(12-27-19-17-18(21-13-20-17)22-14-23-19)11-25-8-6-24(7-9-25)10-15-4-2-1-3-5-15/h1-5,13-14,16,26H,6-12H2,(H,20,21,22,23)
InChIKeyHGSOFUPHYMWFAM-UHFFFAOYSA-N
XLogP1.62
TPSA81.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(4-benzylpiperazin-1-yl)-3-(7H-purin-6-ylsulfanyl)propan-2-ol 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 1-(4-benzylpiperazin-1-yl)-3-(7H-purin-6-ylsulfanyl)propan-2-ol?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-(7H-purin-6-ylsulfanyl)propan-2-ol (CID 10362610) is 1-(4-benzylpiperazin-1-yl)-3-(7H-purin-6-ylsulfanyl)propan-2-ol.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-3-(7H-purin-6-ylsulfanyl)propan-2-ol?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-3-(7H-purin-6-ylsulfanyl)propan-2-ol is OC(CSc1ncnc2nc[nH]c12)CN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-3-(7H-purin-6-ylsulfanyl)propan-2-ol?
The InChIKey is HGSOFUPHYMWFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6OS/c26-16(12-27-19-17-18(21-13-20-17)22-14-23-19)11-25-8-6-24(7-9-25)10-15-4-2-1-3-5-15/h1-5,13-14,16,26H,6-12H2,(H,20,21,22,23).
What are the key properties of 1-(4-benzylpiperazin-1-yl)-3-(7H-purin-6-ylsulfanyl)propan-2-ol?
1-(4-benzylpiperazin-1-yl)-3-(7H-purin-6-ylsulfanyl)propan-2-ol has a molecular weight of 384.51 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-3-(7H-purin-6-ylsulfanyl)propan-2-ol is sourced from PubChem (CID 10362610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).