N,N'-dimethyl-N,N'-bis(9-methylpurin-6-yl)ethane-1,2-diamine

C16H20N10 — CID 71429474

IUPACN,N'-dimethyl-N,N'-bis(9-methylpurin-6-yl)ethane-1,2-diamine
SMILESCN(CCN(C)c1ncnc2c1ncn2C)c1ncnc2c1ncn2C
InChIInChI=1S/C16H20N10/c1-23(13-11-15(19-7-17-13)25(3)9-21-11)5-6-24(2)14-12-16(20-8-18-14)26(4)10-22-12/h7-10H,5-6H2,1-4H3
InChIKeyPSZIZQKIXKBLCK-UHFFFAOYSA-N
MW352.41 g/mol
LogP0.61
Rot. Bonds5

About N,N'-dimethyl-N,N'-bis(9-methylpurin-6-yl)ethane-1,2-diamine

N,N'-dimethyl-N,N'-bis(9-methylpurin-6-yl)ethane-1,2-diamine (PubChem CID 71429474) has the molecular formula C16H20N10 and a molecular weight of 352.41 g/mol. Its IUPAC name is N,N'-dimethyl-N,N'-bis(9-methylpurin-6-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N,N'-bis(9-methylpurin-6-yl)ethane-1,2-diamine
PubChem CID71429474
Molecular FormulaC16H20N10
Molecular Weight352.41 g/mol
Exact Mass352.19
IUPAC NameN,N'-dimethyl-N,N'-bis(9-methylpurin-6-yl)ethane-1,2-diamine
SMILESCN(CCN(C)c1ncnc2c1ncn2C)c1ncnc2c1ncn2C
InChIInChI=1S/C16H20N10/c1-23(13-11-15(19-7-17-13)25(3)9-21-11)5-6-24(2)14-12-16(20-8-18-14)26(4)10-22-12/h7-10H,5-6H2,1-4H3
InChIKeyPSZIZQKIXKBLCK-UHFFFAOYSA-N
XLogP0.61
TPSA93.68 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze N,N'-dimethyl-N,N'-bis(9-methylpurin-6-yl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N,N'-bis(9-methylpurin-6-yl)ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N,N'-bis(9-methylpurin-6-yl)ethane-1,2-diamine (CID 71429474) is N,N'-dimethyl-N,N'-bis(9-methylpurin-6-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N,N'-bis(9-methylpurin-6-yl)ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N,N'-bis(9-methylpurin-6-yl)ethane-1,2-diamine is CN(CCN(C)c1ncnc2c1ncn2C)c1ncnc2c1ncn2C.
What is the InChIKey of N,N'-dimethyl-N,N'-bis(9-methylpurin-6-yl)ethane-1,2-diamine?
The InChIKey is PSZIZQKIXKBLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N10/c1-23(13-11-15(19-7-17-13)25(3)9-21-11)5-6-24(2)14-12-16(20-8-18-14)26(4)10-22-12/h7-10H,5-6H2,1-4H3.
What are the key properties of N,N'-dimethyl-N,N'-bis(9-methylpurin-6-yl)ethane-1,2-diamine?
N,N'-dimethyl-N,N'-bis(9-methylpurin-6-yl)ethane-1,2-diamine has a molecular weight of 352.41 g/mol, XLogP of 0.61, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N,N'-bis(9-methylpurin-6-yl)ethane-1,2-diamine is sourced from PubChem (CID 71429474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).