6-N-[2-(4-methylpiperazin-1-yl)ethyl]-7H-purine-2,6-diamine

C12H20N8 — CID 104623212

IUPAC6-N-[2-(4-methylpiperazin-1-yl)ethyl]-7H-purine-2,6-diamine
SMILESCN1CCN(CCNc2nc(N)nc3nc[nH]c23)CC1
InChIInChI=1S/C12H20N8/c1-19-4-6-20(7-5-19)3-2-14-10-9-11(16-8-15-9)18-12(13)17-10/h8H,2-7H2,1H3,(H4,13,14,15,16,17,18)
InChIKeyRAGHEDGBQCRZKI-UHFFFAOYSA-N
MW276.35 g/mol
LogP-0.41
Rot. Bonds4

About 6-N-[2-(4-methylpiperazin-1-yl)ethyl]-7H-purine-2,6-diamine

6-N-[2-(4-methylpiperazin-1-yl)ethyl]-7H-purine-2,6-diamine (PubChem CID 104623212) has the molecular formula C12H20N8 and a molecular weight of 276.35 g/mol. Its IUPAC name is 6-N-[2-(4-methylpiperazin-1-yl)ethyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-[2-(4-methylpiperazin-1-yl)ethyl]-7H-purine-2,6-diamine
PubChem CID104623212
Molecular FormulaC12H20N8
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC Name6-N-[2-(4-methylpiperazin-1-yl)ethyl]-7H-purine-2,6-diamine
SMILESCN1CCN(CCNc2nc(N)nc3nc[nH]c23)CC1
InChIInChI=1S/C12H20N8/c1-19-4-6-20(7-5-19)3-2-14-10-9-11(16-8-15-9)18-12(13)17-10/h8H,2-7H2,1H3,(H4,13,14,15,16,17,18)
InChIKeyRAGHEDGBQCRZKI-UHFFFAOYSA-N
XLogP-0.41
TPSA98.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-N-propyl-7H-purine-2,6-diamine
CID 22916641
2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)-7H-purin-6-amine
CID 71109457
6-N-(3-methoxypropyl)-7H-purine-2,6-diamine
CID 115669328
3-[(2-amino-7H-purin-6-yl)amino]propyl-trimethylazanium
CID 140616341
6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-7H-purine-2,6-diamine
CID 114785101
5-[(2-amino-7H-purin-6-yl)amino]pentan-2-ol
CID 107269141
3-[(2-amino-7H-purin-6-yl)amino]propanamide
CID 114783932
2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-7H-purin-6-amine
CID 117081727
6-N-(3-cyclopentylpropyl)-7H-purine-2,6-diamine
CID 104623232
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-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine
CID 39377702

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(4-methylpiperazin-1-yl)ethyl]-7H-purine-2,6-diamine?
The IUPAC name of 6-N-[2-(4-methylpiperazin-1-yl)ethyl]-7H-purine-2,6-diamine (CID 104623212) is 6-N-[2-(4-methylpiperazin-1-yl)ethyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-[2-(4-methylpiperazin-1-yl)ethyl]-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-[2-(4-methylpiperazin-1-yl)ethyl]-7H-purine-2,6-diamine is CN1CCN(CCNc2nc(N)nc3nc[nH]c23)CC1.
What is the InChIKey of 6-N-[2-(4-methylpiperazin-1-yl)ethyl]-7H-purine-2,6-diamine?
The InChIKey is RAGHEDGBQCRZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N8/c1-19-4-6-20(7-5-19)3-2-14-10-9-11(16-8-15-9)18-12(13)17-10/h8H,2-7H2,1H3,(H4,13,14,15,16,17,18).
What are the key properties of 6-N-[2-(4-methylpiperazin-1-yl)ethyl]-7H-purine-2,6-diamine?
6-N-[2-(4-methylpiperazin-1-yl)ethyl]-7H-purine-2,6-diamine has a molecular weight of 276.35 g/mol, XLogP of -0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(4-methylpiperazin-1-yl)ethyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 104623212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).