6-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-7H-purine-2,6-diamine

C13H19N7 — CID 114785762

IUPAC6-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-7H-purine-2,6-diamine
SMILESNc1nc(NC2CCN3CCCC3C2)c2[nH]cnc2n1
InChIInChI=1S/C13H19N7/c14-13-18-11-10(15-7-16-11)12(19-13)17-8-3-5-20-4-1-2-9(20)6-8/h7-9H,1-6H2,(H4,14,15,16,17,18,19)
InChIKeyLZVHWYJLPNWMDG-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.97
Rot. Bonds2

About 6-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-7H-purine-2,6-diamine

6-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-7H-purine-2,6-diamine (PubChem CID 114785762) has the molecular formula C13H19N7 and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-7H-purine-2,6-diamine
PubChem CID114785762
Molecular FormulaC13H19N7
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC Name6-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-7H-purine-2,6-diamine
SMILESNc1nc(NC2CCN3CCCC3C2)c2[nH]cnc2n1
InChIInChI=1S/C13H19N7/c14-13-18-11-10(15-7-16-11)12(19-13)17-8-3-5-20-4-1-2-9(20)6-8/h7-9H,1-6H2,(H4,14,15,16,17,18,19)
InChIKeyLZVHWYJLPNWMDG-UHFFFAOYSA-N
XLogP0.97
TPSA95.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-7H-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

6-N-cyclobutyl-7H-purine-2,6-diamine
CID 18430660
6-N-cyclopropyl-7H-purine-2,6-diamine;hydrochloride
CID 19934360
4-[(2-amino-7H-purin-6-yl)amino]cyclohexan-1-ol
CID 104623891
6-N-(1,4-diazabicyclo[2.2.2]octan-2-yl)-7H-purine-2,6-diamine
CID 54444173
6-chloro-7H-purin-2-amine;bis(cyclohexanamine);6-N-cyclohexyl-7H-purine-2,6-diamine;hydrochloride
CID 159837159
6-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-7H-purine-2,6-diamine
CID 138582572
4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-1H-pyrimidin-6-one
CID 137015539
4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-chloropyrimidine-2,4-diamine
CID 112731021
4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-methylpyrimidine-2,4-diamine
CID 113224826
6-N-(2,3-dimethylcyclohexyl)-7H-purine-2,6-diamine
CID 104623136
6-N-(2-propan-2-ylcyclohexyl)-7H-purine-2,6-diamine
CID 114785800
2-N-methyl-6-N-(1-methylpiperidin-3-yl)-7H-purine-2,6-diamine
CID 114784075

Frequently Asked Questions

What is the IUPAC name of 6-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-7H-purine-2,6-diamine?
The IUPAC name of 6-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-7H-purine-2,6-diamine (CID 114785762) is 6-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-7H-purine-2,6-diamine is Nc1nc(NC2CCN3CCCC3C2)c2[nH]cnc2n1.
What is the InChIKey of 6-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-7H-purine-2,6-diamine?
The InChIKey is LZVHWYJLPNWMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7/c14-13-18-11-10(15-7-16-11)12(19-13)17-8-3-5-20-4-1-2-9(20)6-8/h7-9H,1-6H2,(H4,14,15,16,17,18,19).
What are the key properties of 6-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-7H-purine-2,6-diamine?
6-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-7H-purine-2,6-diamine has a molecular weight of 273.34 g/mol, XLogP of 0.97, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-7H-purine-2,6-diamine is sourced from PubChem (CID 114785762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).