6-N-(3-methoxypropyl)-7H-purine-2,6-diamine

C9H14N6O — CID 115669328

IUPAC6-N-(3-methoxypropyl)-7H-purine-2,6-diamine
SMILESCOCCCNc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C9H14N6O/c1-16-4-2-3-11-7-6-8(13-5-12-6)15-9(10)14-7/h5H,2-4H2,1H3,(H4,10,11,12,13,14,15)
InChIKeyGJTIHTGTRABDPA-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.38
Rot. Bonds5

About 6-N-(3-methoxypropyl)-7H-purine-2,6-diamine

6-N-(3-methoxypropyl)-7H-purine-2,6-diamine (PubChem CID 115669328) has the molecular formula C9H14N6O and a molecular weight of 222.25 g/mol. Its IUPAC name is 6-N-(3-methoxypropyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(3-methoxypropyl)-7H-purine-2,6-diamine
PubChem CID115669328
Molecular FormulaC9H14N6O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC Name6-N-(3-methoxypropyl)-7H-purine-2,6-diamine
SMILESCOCCCNc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C9H14N6O/c1-16-4-2-3-11-7-6-8(13-5-12-6)15-9(10)14-7/h5H,2-4H2,1H3,(H4,10,11,12,13,14,15)
InChIKeyGJTIHTGTRABDPA-UHFFFAOYSA-N
XLogP0.38
TPSA101.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-N-ethyl-6-N-(3-methoxypropyl)-7H-purine-2,6-diamine
CID 114783752
6-N-propyl-7H-purine-2,6-diamine
CID 22916641
3-[(2-amino-7H-purin-6-yl)amino]propyl-trimethylazanium
CID 140616341
5-[(2-amino-7H-purin-6-yl)amino]pentan-2-ol
CID 107269141
6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine
CID 39377702
6-N-(3-cyclopentylpropyl)-7H-purine-2,6-diamine
CID 104623232
5-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypentanamide
CID 127025055
3-[(2-amino-7H-purin-6-yl)amino]propanamide
CID 114783932
6-N-[2-(4-methylpiperazin-1-yl)ethyl]-7H-purine-2,6-diamine
CID 104623212
6-N-(2,3-dimethylbutyl)-7H-purine-2,6-diamine
CID 104623745
6-N-tert-butyl-7H-purine-2,6-diamine
CID 114783406
6-N-(2-methoxyethyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114783641

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-methoxypropyl)-7H-purine-2,6-diamine?
The IUPAC name of 6-N-(3-methoxypropyl)-7H-purine-2,6-diamine (CID 115669328) is 6-N-(3-methoxypropyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-(3-methoxypropyl)-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-(3-methoxypropyl)-7H-purine-2,6-diamine is COCCCNc1nc(N)nc2nc[nH]c12.
What is the InChIKey of 6-N-(3-methoxypropyl)-7H-purine-2,6-diamine?
The InChIKey is GJTIHTGTRABDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O/c1-16-4-2-3-11-7-6-8(13-5-12-6)15-9(10)14-7/h5H,2-4H2,1H3,(H4,10,11,12,13,14,15).
What are the key properties of 6-N-(3-methoxypropyl)-7H-purine-2,6-diamine?
6-N-(3-methoxypropyl)-7H-purine-2,6-diamine has a molecular weight of 222.25 g/mol, XLogP of 0.38, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-methoxypropyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 115669328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).