6-N-propyl-7H-purine-2,6-diamine

C8H12N6 — CID 22916641

IUPAC6-N-propyl-7H-purine-2,6-diamine
SMILESCCCNc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C8H12N6/c1-2-3-10-6-5-7(12-4-11-5)14-8(9)13-6/h4H,2-3H2,1H3,(H4,9,10,11,12,13,14)
InChIKeyAOXHQKGOOSWBRT-UHFFFAOYSA-N
MW192.23 g/mol
LogP0.76
Rot. Bonds3

About 6-N-propyl-7H-purine-2,6-diamine

6-N-propyl-7H-purine-2,6-diamine (PubChem CID 22916641) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is 6-N-propyl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-propyl-7H-purine-2,6-diamine
PubChem CID22916641
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC Name6-N-propyl-7H-purine-2,6-diamine
SMILESCCCNc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C8H12N6/c1-2-3-10-6-5-7(12-4-11-5)14-8(9)13-6/h4H,2-3H2,1H3,(H4,9,10,11,12,13,14)
InChIKeyAOXHQKGOOSWBRT-UHFFFAOYSA-N
XLogP0.76
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,6-N-dipropyl-7H-purine-2,6-diamine
CID 114783634
6-N-(3-methoxypropyl)-7H-purine-2,6-diamine
CID 115669328
3-[(2-amino-7H-purin-6-yl)amino]propyl-trimethylazanium
CID 140616341
2-chloro-N-propyl-7H-purin-6-amine
CID 22149709
5-[(2-amino-7H-purin-6-yl)amino]pentan-2-ol
CID 107269141
3-[(2-amino-7H-purin-6-yl)amino]propanamide
CID 114783932
1-[(2-amino-7H-purin-6-yl)amino]pentan-2-ol
CID 104623688
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
3-[(2-amino-7H-purin-6-yl)amino]-N-tert-butylpropanamide
CID 104623604
6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine
CID 39377702

Frequently Asked Questions

What is the IUPAC name of 6-N-propyl-7H-purine-2,6-diamine?
The IUPAC name of 6-N-propyl-7H-purine-2,6-diamine (CID 22916641) is 6-N-propyl-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-propyl-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-propyl-7H-purine-2,6-diamine is CCCNc1nc(N)nc2nc[nH]c12.
What is the InChIKey of 6-N-propyl-7H-purine-2,6-diamine?
The InChIKey is AOXHQKGOOSWBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c1-2-3-10-6-5-7(12-4-11-5)14-8(9)13-6/h4H,2-3H2,1H3,(H4,9,10,11,12,13,14).
What are the key properties of 6-N-propyl-7H-purine-2,6-diamine?
6-N-propyl-7H-purine-2,6-diamine has a molecular weight of 192.23 g/mol, XLogP of 0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-propyl-7H-purine-2,6-diamine is sourced from PubChem (CID 22916641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).