N'-methyl-N'-(7H-purin-6-yl)ethane-1,2-diamine

C8H12N6 — CID 62593872

IUPACN'-methyl-N'-(7H-purin-6-yl)ethane-1,2-diamine
SMILESCN(CCN)c1ncnc2nc[nH]c12
InChIInChI=1S/C8H12N6/c1-14(3-2-9)8-6-7(11-4-10-6)12-5-13-8/h4-5H,2-3,9H2,1H3,(H,10,11,12,13)
InChIKeyIPKOQGHKPLSUIG-UHFFFAOYSA-N
MW192.23 g/mol
LogP-0.25
Rot. Bonds3

About N'-methyl-N'-(7H-purin-6-yl)ethane-1,2-diamine

N'-methyl-N'-(7H-purin-6-yl)ethane-1,2-diamine (PubChem CID 62593872) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is N'-methyl-N'-(7H-purin-6-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(7H-purin-6-yl)ethane-1,2-diamine
PubChem CID62593872
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC NameN'-methyl-N'-(7H-purin-6-yl)ethane-1,2-diamine
SMILESCN(CCN)c1ncnc2nc[nH]c12
InChIInChI=1S/C8H12N6/c1-14(3-2-9)8-6-7(11-4-10-6)12-5-13-8/h4-5H,2-3,9H2,1H3,(H,10,11,12,13)
InChIKeyIPKOQGHKPLSUIG-UHFFFAOYSA-N
XLogP-0.25
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorobutyl)-N-methyl-7H-purin-6-amine
CID 13285773
N'-(2-methylpropyl)-N'-(7H-purin-6-yl)ethane-1,2-diamine
CID 55091105
N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-7H-purin-6-amine
CID 45216939
N'-benzyl-N'-(7H-purin-6-yl)ethane-1,2-diamine
CID 61013592
N-[3-(4-methoxyphenyl)propyl]-N-methyl-7H-purin-6-amine
CID 133271373
N-[(3-aminophenyl)methyl]-N-methyl-7H-purin-6-amine
CID 60877421
3-[methyl-[2-[methyl(7H-purin-6-yl)amino]acetyl]amino]propanoic acid
CID 119362648
N,N-bis(trimethylsilyl)-7H-purin-6-amine
CID 19910051
N,N-bis(methylamino)-7H-purin-6-amine
CID 66676633
N-[(3-fluorophenyl)methyl]-N-methyl-7H-purin-6-amine
CID 94145814
N-methyl-N-(oxan-2-ylmethyl)-7H-purin-6-amine
CID 47357925
N'-ethyl-2-methyl-N'-(7H-purin-6-yl)propane-1,3-diamine
CID 54987903

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(7H-purin-6-yl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(7H-purin-6-yl)ethane-1,2-diamine (CID 62593872) is N'-methyl-N'-(7H-purin-6-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(7H-purin-6-yl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(7H-purin-6-yl)ethane-1,2-diamine is CN(CCN)c1ncnc2nc[nH]c12.
What is the InChIKey of N'-methyl-N'-(7H-purin-6-yl)ethane-1,2-diamine?
The InChIKey is IPKOQGHKPLSUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c1-14(3-2-9)8-6-7(11-4-10-6)12-5-13-8/h4-5H,2-3,9H2,1H3,(H,10,11,12,13).
What are the key properties of N'-methyl-N'-(7H-purin-6-yl)ethane-1,2-diamine?
N'-methyl-N'-(7H-purin-6-yl)ethane-1,2-diamine has a molecular weight of 192.23 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(7H-purin-6-yl)ethane-1,2-diamine is sourced from PubChem (CID 62593872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).