3-pentyl-7H-purin-6-imine

C10H15N5 — CID 135435070

IUPAC3-pentyl-7H-purin-6-imine
SMILES[H]/N=c1\ncn(CCCCC)c2nc[nH]c12
InChIInChI=1S/C10H15N5/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)/b11-9-
InChIKeyJUJGAOQCDIRJSW-LUAWRHEFSA-N
MW205.27 g/mol
LogP1.43
Rot. Bonds4

About 3-pentyl-7H-purin-6-imine

3-pentyl-7H-purin-6-imine (PubChem CID 135435070) has the molecular formula C10H15N5 and a molecular weight of 205.27 g/mol. Its IUPAC name is 3-pentyl-7H-purin-6-imine.

Molecular Properties

Compound Name3-pentyl-7H-purin-6-imine
PubChem CID135435070
Molecular FormulaC10H15N5
Molecular Weight205.27 g/mol
Exact Mass205.13
IUPAC Name3-pentyl-7H-purin-6-imine
SMILES[H]/N=c1\ncn(CCCCC)c2nc[nH]c12
InChIInChI=1S/C10H15N5/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)/b11-9-
InChIKeyJUJGAOQCDIRJSW-LUAWRHEFSA-N
XLogP1.43
TPSA70.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.27
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-pentyl-7H-purin-6-imine?
The IUPAC name of 3-pentyl-7H-purin-6-imine (CID 135435070) is 3-pentyl-7H-purin-6-imine.
What is the SMILES notation for 3-pentyl-7H-purin-6-imine?
The canonical SMILES for 3-pentyl-7H-purin-6-imine is [H]/N=c1\ncn(CCCCC)c2nc[nH]c12.
What is the InChIKey of 3-pentyl-7H-purin-6-imine?
The InChIKey is JUJGAOQCDIRJSW-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H15N5/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)/b11-9-.
What are the key properties of 3-pentyl-7H-purin-6-imine?
3-pentyl-7H-purin-6-imine has a molecular weight of 205.27 g/mol, XLogP of 1.43, 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 is sourced from PubChem (CID 135435070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).