3-[6-imino-8-(4-propylpiperazin-1-yl)-7H-purin-3-yl]propane-1,2-diol

C15H25N7O2 — CID 135427580

IUPAC3-[6-imino-8-(4-propylpiperazin-1-yl)-7H-purin-3-yl]propane-1,2-diol
SMILES[H]/N=c1\ncn(CC(O)CO)c2nc(N3CCN(CCC)CC3)[nH]c12
InChIInChI=1S/C15H25N7O2/c1-2-3-20-4-6-21(7-5-20)15-18-12-13(16)17-10-22(14(12)19-15)8-11(24)9-23/h10-11,16,23-24H,2-9H2,1H3,(H,18,19)/b16-13-
InChIKeyFGVJTGHXAAJTLF-SSZFMOIBSA-N
MW335.41 g/mol
LogP-0.88
Rot. Bonds6

About 3-[6-imino-8-(4-propylpiperazin-1-yl)-7H-purin-3-yl]propane-1,2-diol

3-[6-imino-8-(4-propylpiperazin-1-yl)-7H-purin-3-yl]propane-1,2-diol (PubChem CID 135427580) has the molecular formula C15H25N7O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-[6-imino-8-(4-propylpiperazin-1-yl)-7H-purin-3-yl]propane-1,2-diol.

Molecular Properties

Compound Name3-[6-imino-8-(4-propylpiperazin-1-yl)-7H-purin-3-yl]propane-1,2-diol
PubChem CID135427580
Molecular FormulaC15H25N7O2
Molecular Weight335.41 g/mol
Exact Mass335.21
IUPAC Name3-[6-imino-8-(4-propylpiperazin-1-yl)-7H-purin-3-yl]propane-1,2-diol
SMILES[H]/N=c1\ncn(CC(O)CO)c2nc(N3CCN(CCC)CC3)[nH]c12
InChIInChI=1S/C15H25N7O2/c1-2-3-20-4-6-21(7-5-20)15-18-12-13(16)17-10-22(14(12)19-15)8-11(24)9-23/h10-11,16,23-24H,2-9H2,1H3,(H,18,19)/b16-13-
InChIKeyFGVJTGHXAAJTLF-SSZFMOIBSA-N
XLogP-0.88
TPSA117.29 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 5-0.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 3-[6-imino-8-(4-propylpiperazin-1-yl)-7H-purin-3-yl]propane-1,2-diol 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 3-[6-imino-8-(4-propylpiperazin-1-yl)-7H-purin-3-yl]propane-1,2-diol?
The IUPAC name of 3-[6-imino-8-(4-propylpiperazin-1-yl)-7H-purin-3-yl]propane-1,2-diol (CID 135427580) is 3-[6-imino-8-(4-propylpiperazin-1-yl)-7H-purin-3-yl]propane-1,2-diol.
What is the SMILES notation for 3-[6-imino-8-(4-propylpiperazin-1-yl)-7H-purin-3-yl]propane-1,2-diol?
The canonical SMILES for 3-[6-imino-8-(4-propylpiperazin-1-yl)-7H-purin-3-yl]propane-1,2-diol is [H]/N=c1\ncn(CC(O)CO)c2nc(N3CCN(CCC)CC3)[nH]c12.
What is the InChIKey of 3-[6-imino-8-(4-propylpiperazin-1-yl)-7H-purin-3-yl]propane-1,2-diol?
The InChIKey is FGVJTGHXAAJTLF-SSZFMOIBSA-N. The full InChI is InChI=1S/C15H25N7O2/c1-2-3-20-4-6-21(7-5-20)15-18-12-13(16)17-10-22(14(12)19-15)8-11(24)9-23/h10-11,16,23-24H,2-9H2,1H3,(H,18,19)/b16-13-.
What are the key properties of 3-[6-imino-8-(4-propylpiperazin-1-yl)-7H-purin-3-yl]propane-1,2-diol?
3-[6-imino-8-(4-propylpiperazin-1-yl)-7H-purin-3-yl]propane-1,2-diol has a molecular weight of 335.41 g/mol, XLogP of -0.88, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-imino-8-(4-propylpiperazin-1-yl)-7H-purin-3-yl]propane-1,2-diol is sourced from PubChem (CID 135427580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).