3-pentyl-7H-purin-6-imine;hydrobromide;hydrochloride

C10H17BrClN5 — CID 136609994

IUPAC3-pentyl-7H-purin-6-imine;hydrobromide;hydrochloride
SMILESBr.Cl.[H]/N=c1\ncn(CCCCC)c2nc[nH]c12
InChIInChI=1S/C10H15N5.BrH.ClH/c1-2-3-4-5-15-7-14-9(11)8-10(15)13-6-12-8;;/h6-7,11H,2-5H2,1H3,(H,12,13);2*1H/b11-9-;;
InChIKeyMVLJEIWUWXAETI-WSELPHFCSA-N
MW322.64 g/mol
LogP2.43
Rot. Bonds4

About 3-pentyl-7H-purin-6-imine;hydrobromide;hydrochloride

3-pentyl-7H-purin-6-imine;hydrobromide;hydrochloride (PubChem CID 136609994) has the molecular formula C10H17BrClN5 and a molecular weight of 322.64 g/mol. Its IUPAC name is 3-pentyl-7H-purin-6-imine;hydrobromide;hydrochloride.

Molecular Properties

Compound Name3-pentyl-7H-purin-6-imine;hydrobromide;hydrochloride
PubChem CID136609994
Molecular FormulaC10H17BrClN5
Molecular Weight322.64 g/mol
Exact Mass321.04
IUPAC Name3-pentyl-7H-purin-6-imine;hydrobromide;hydrochloride
SMILESBr.Cl.[H]/N=c1\ncn(CCCCC)c2nc[nH]c12
InChIInChI=1S/C10H15N5.BrH.ClH/c1-2-3-4-5-15-7-14-9(11)8-10(15)13-6-12-8;;/h6-7,11H,2-5H2,1H3,(H,12,13);2*1H/b11-9-;;
InChIKeyMVLJEIWUWXAETI-WSELPHFCSA-N
XLogP2.43
TPSA70.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.64
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-pentyl-7H-purin-6-imine;hydrobromide;hydrochloride 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

3-Methyladenine
CID 135398661
3-(3-methylbut-2-en-1-yl)-3H-purin-6-amine
CID 135438588
1-Methyladenine
CID 135398646
9-(n-Butyl)-6-mercaptopurine
CID 3034171
2-Amino-9-pentyl-9H-purin-6-yl hydrosulfide
CID 3003779
3-Propyladenine
CID 135435068
3-Ethyladenine
CID 135435067
1-Ethyladenine
CID 135398554
3-Butyladenine
CID 135435069
6-ethylimino-1H-imidazo[4,5-e][1,3]diazepine-4,8-diamine
CID 135939021
N3-Metyladenine
CID 440553
9H-Purine-6-thiol, 9-pentyl-
CID 3994337

Frequently Asked Questions

What is the IUPAC name of 3-pentyl-7H-purin-6-imine;hydrobromide;hydrochloride?
The IUPAC name of 3-pentyl-7H-purin-6-imine;hydrobromide;hydrochloride (CID 136609994) is 3-pentyl-7H-purin-6-imine;hydrobromide;hydrochloride.
What is the SMILES notation for 3-pentyl-7H-purin-6-imine;hydrobromide;hydrochloride?
The canonical SMILES for 3-pentyl-7H-purin-6-imine;hydrobromide;hydrochloride is Br.Cl.[H]/N=c1\ncn(CCCCC)c2nc[nH]c12.
What is the InChIKey of 3-pentyl-7H-purin-6-imine;hydrobromide;hydrochloride?
The InChIKey is MVLJEIWUWXAETI-WSELPHFCSA-N. The full InChI is InChI=1S/C10H15N5.BrH.ClH/c1-2-3-4-5-15-7-14-9(11)8-10(15)13-6-12-8;;/h6-7,11H,2-5H2,1H3,(H,12,13);2*1H/b11-9-;;.
What are the key properties of 3-pentyl-7H-purin-6-imine;hydrobromide;hydrochloride?
3-pentyl-7H-purin-6-imine;hydrobromide;hydrochloride has a molecular weight of 322.64 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-7H-purin-6-imine;hydrobromide;hydrochloride is sourced from PubChem (CID 136609994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).