2-N-butyl-8-methoxy-9-[3-[2-(oxolan-2-yl)ethylamino]propyl]purine-2,6-diamine

C19H33N7O2 — CID 67211731

IUPAC2-N-butyl-8-methoxy-9-[3-[2-(oxolan-2-yl)ethylamino]propyl]purine-2,6-diamine
SMILESCCCCNc1nc(N)c2nc(OC)n(CCCNCCC3CCCO3)c2n1
InChIInChI=1S/C19H33N7O2/c1-3-4-10-22-18-24-16(20)15-17(25-18)26(19(23-15)27-2)12-6-9-21-11-8-14-7-5-13-28-14/h14,21H,3-13H2,1-2H3,(H3,20,22,24,25)
InChIKeyAOWMLPLMYDPKPO-UHFFFAOYSA-N
MW391.52 g/mol
LogP2.18
Rot. Bonds12

About 2-N-butyl-8-methoxy-9-[3-[2-(oxolan-2-yl)ethylamino]propyl]purine-2,6-diamine

2-N-butyl-8-methoxy-9-[3-[2-(oxolan-2-yl)ethylamino]propyl]purine-2,6-diamine (PubChem CID 67211731) has the molecular formula C19H33N7O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-N-butyl-8-methoxy-9-[3-[2-(oxolan-2-yl)ethylamino]propyl]purine-2,6-diamine.

Molecular Properties

Compound Name2-N-butyl-8-methoxy-9-[3-[2-(oxolan-2-yl)ethylamino]propyl]purine-2,6-diamine
PubChem CID67211731
Molecular FormulaC19H33N7O2
Molecular Weight391.52 g/mol
Exact Mass391.27
IUPAC Name2-N-butyl-8-methoxy-9-[3-[2-(oxolan-2-yl)ethylamino]propyl]purine-2,6-diamine
SMILESCCCCNc1nc(N)c2nc(OC)n(CCCNCCC3CCCO3)c2n1
InChIInChI=1S/C19H33N7O2/c1-3-4-10-22-18-24-16(20)15-17(25-18)26(19(23-15)27-2)12-6-9-21-11-8-14-7-5-13-28-14/h14,21H,3-13H2,1-2H3,(H3,20,22,24,25)
InChIKeyAOWMLPLMYDPKPO-UHFFFAOYSA-N
XLogP2.18
TPSA112.14 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-N-butyl-8-methoxy-9-[3-[2-(oxolan-2-yl)ethylamino]propyl]purine-2,6-diamine 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

2-N-butyl-8-methoxy-9-[3-(oxolan-2-ylmethylamino)propyl]purine-2,6-diamine
CID 67211919
8-methoxy-9-[3-[2-(oxolan-2-yl)ethylamino]propyl]-2-pentan-2-yloxypurin-6-amine
CID 77241502
9-(2-bromoethyl)-2-N-butyl-8-methoxypurine-2,6-diamine
CID 58291032
8-methoxy-9-[3-(oxolan-2-ylmethylamino)propyl]-2-[(2S)-pentan-2-yl]oxypurin-6-amine
CID 67211502
6-amino-2-(butylamino)-9-[3-(oxolan-2-ylmethylamino)propyl]-7H-purin-8-one
CID 67224012
2-N-butyl-9-[7-[ethyl(propyl)amino]-5-methylhept-4-enyl]-8-methoxypurine-2,6-diamine
CID 91403184
N-[2-(oxolan-2-yl)ethyl]nonan-1-amine
CID 61039120
4-chloro-6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 62858982
6-ethoxy-4-N-methyl-2-N-[2-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80812130
3-(6-amino-2-butoxy-8-methoxypurin-9-yl)propyl-tert-butylcarbamic acid
CID 66781348
2-(oxolan-2-yl)-N-(2-propoxyethyl)ethanamine
CID 106451738
4-N-[2-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80811963

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-8-methoxy-9-[3-[2-(oxolan-2-yl)ethylamino]propyl]purine-2,6-diamine?
The IUPAC name of 2-N-butyl-8-methoxy-9-[3-[2-(oxolan-2-yl)ethylamino]propyl]purine-2,6-diamine (CID 67211731) is 2-N-butyl-8-methoxy-9-[3-[2-(oxolan-2-yl)ethylamino]propyl]purine-2,6-diamine.
What is the SMILES notation for 2-N-butyl-8-methoxy-9-[3-[2-(oxolan-2-yl)ethylamino]propyl]purine-2,6-diamine?
The canonical SMILES for 2-N-butyl-8-methoxy-9-[3-[2-(oxolan-2-yl)ethylamino]propyl]purine-2,6-diamine is CCCCNc1nc(N)c2nc(OC)n(CCCNCCC3CCCO3)c2n1.
What is the InChIKey of 2-N-butyl-8-methoxy-9-[3-[2-(oxolan-2-yl)ethylamino]propyl]purine-2,6-diamine?
The InChIKey is AOWMLPLMYDPKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N7O2/c1-3-4-10-22-18-24-16(20)15-17(25-18)26(19(23-15)27-2)12-6-9-21-11-8-14-7-5-13-28-14/h14,21H,3-13H2,1-2H3,(H3,20,22,24,25).
What are the key properties of 2-N-butyl-8-methoxy-9-[3-[2-(oxolan-2-yl)ethylamino]propyl]purine-2,6-diamine?
2-N-butyl-8-methoxy-9-[3-[2-(oxolan-2-yl)ethylamino]propyl]purine-2,6-diamine has a molecular weight of 391.52 g/mol, XLogP of 2.18, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-8-methoxy-9-[3-[2-(oxolan-2-yl)ethylamino]propyl]purine-2,6-diamine is sourced from PubChem (CID 67211731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).