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

C15H18N6 — CID 756726

IUPACN'-benzyl-N'-methyl-N-(7H-purin-6-yl)ethane-1,2-diamine
SMILESCN(CCNc1ncnc2nc[nH]c12)Cc1ccccc1
InChIInChI=1S/C15H18N6/c1-21(9-12-5-3-2-4-6-12)8-7-16-14-13-15(18-10-17-13)20-11-19-14/h2-6,10-11H,7-9H2,1H3,(H2,16,17,18,19,20)
InChIKeyMPRFAIWXWQJZEY-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.90
Rot. Bonds6

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

N'-benzyl-N'-methyl-N-(7H-purin-6-yl)ethane-1,2-diamine (PubChem CID 756726) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is N'-benzyl-N'-methyl-N-(7H-purin-6-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-methyl-N-(7H-purin-6-yl)ethane-1,2-diamine
PubChem CID756726
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC NameN'-benzyl-N'-methyl-N-(7H-purin-6-yl)ethane-1,2-diamine
SMILESCN(CCNc1ncnc2nc[nH]c12)Cc1ccccc1
InChIInChI=1S/C15H18N6/c1-21(9-12-5-3-2-4-6-12)8-7-16-14-13-15(18-10-17-13)20-11-19-14/h2-6,10-11H,7-9H2,1H3,(H2,16,17,18,19,20)
InChIKeyMPRFAIWXWQJZEY-UHFFFAOYSA-N
XLogP1.90
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-benzylsulfanylethyl)-7H-purin-6-amine
CID 47174477
N-[2-(3-methylphenyl)ethyl]-7H-purin-6-amine
CID 62314113
2,2-dimethyl-4-(7H-purin-6-ylamino)butanoic acid
CID 114285512
4-[3-[benzyl(methyl)amino]propylamino]-5-iodo-1H-pyrimidin-6-one
CID 136973680
N-(2-methylsulfonylethyl)-7H-purin-6-amine
CID 60919261
N'-(7H-purin-6-yl)-N-quinolin-2-ylethane-1,2-diamine
CID 133309760
N-benzyl-7H-purin-6-amine;7H-purine
CID 70256184
N-butyl-7H-purin-6-amine;ethane
CID 154667457
2-(3-fluorophenyl)-N-[2-(7H-purin-6-ylamino)ethyl]acetamide
CID 51102003
N'-propan-2-yl-N-(7H-purin-6-yl)ethane-1,2-diamine
CID 62664479
2-[(7H-purin-6-ylamino)methyl]benzenesulfonic acid
CID 87748569
N-[(3-methylsulfanylphenyl)methyl]-7H-purin-6-amine
CID 39840813

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-methyl-N-(7H-purin-6-yl)ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-methyl-N-(7H-purin-6-yl)ethane-1,2-diamine (CID 756726) is N'-benzyl-N'-methyl-N-(7H-purin-6-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-methyl-N-(7H-purin-6-yl)ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-methyl-N-(7H-purin-6-yl)ethane-1,2-diamine is CN(CCNc1ncnc2nc[nH]c12)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N'-methyl-N-(7H-purin-6-yl)ethane-1,2-diamine?
The InChIKey is MPRFAIWXWQJZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-21(9-12-5-3-2-4-6-12)8-7-16-14-13-15(18-10-17-13)20-11-19-14/h2-6,10-11H,7-9H2,1H3,(H2,16,17,18,19,20).
What are the key properties of N'-benzyl-N'-methyl-N-(7H-purin-6-yl)ethane-1,2-diamine?
N'-benzyl-N'-methyl-N-(7H-purin-6-yl)ethane-1,2-diamine has a molecular weight of 282.35 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-methyl-N-(7H-purin-6-yl)ethane-1,2-diamine is sourced from PubChem (CID 756726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).