2-N-(2-chloro-7H-purin-6-yl)-1-N,1-N-diethylpropane-1,2-diamine

C12H19ClN6 — CID 104697639

IUPAC2-N-(2-chloro-7H-purin-6-yl)-1-N,1-N-diethylpropane-1,2-diamine
SMILESCCN(CC)CC(C)Nc1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C12H19ClN6/c1-4-19(5-2)6-8(3)16-11-9-10(15-7-14-9)17-12(13)18-11/h7-8H,4-6H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyDPJDLQRMNXFPLJ-UHFFFAOYSA-N
MW282.78 g/mol
LogP2.15
Rot. Bonds6

About 2-N-(2-chloro-7H-purin-6-yl)-1-N,1-N-diethylpropane-1,2-diamine

2-N-(2-chloro-7H-purin-6-yl)-1-N,1-N-diethylpropane-1,2-diamine (PubChem CID 104697639) has the molecular formula C12H19ClN6 and a molecular weight of 282.78 g/mol. Its IUPAC name is 2-N-(2-chloro-7H-purin-6-yl)-1-N,1-N-diethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-chloro-7H-purin-6-yl)-1-N,1-N-diethylpropane-1,2-diamine
PubChem CID104697639
Molecular FormulaC12H19ClN6
Molecular Weight282.78 g/mol
Exact Mass282.14
IUPAC Name2-N-(2-chloro-7H-purin-6-yl)-1-N,1-N-diethylpropane-1,2-diamine
SMILESCCN(CC)CC(C)Nc1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C12H19ClN6/c1-4-19(5-2)6-8(3)16-11-9-10(15-7-14-9)17-12(13)18-11/h7-8H,4-6H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyDPJDLQRMNXFPLJ-UHFFFAOYSA-N
XLogP2.15
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.78
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(2-chloro-7H-purin-6-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 104697610
2-[(2-chloro-7H-purin-6-yl)amino]-3-methylbutan-1-ol
CID 104697768
2-chloro-N-propyl-7H-purin-6-amine
CID 22149709
2-chloro-N-(5-methylhexyl)-7H-purin-6-amine
CID 113442702
N-[(2R)-butan-2-yl]-2-methyl-7H-purin-6-amine
CID 67967892
(2R,3R)-2-[(2-chloro-7H-purin-6-yl)amino]-3-methylpentanoic acid
CID 97266253
2-[(2-chloro-7H-purin-6-yl)amino]-N-methylpropanamide
CID 104697583
2-chloro-N-[1-(4-fluorophenyl)ethyl]-7H-purin-6-amine
CID 104697597
2-chloro-N-ethyl-N-propan-2-yl-7H-purin-6-amine
CID 104787141
2-chloro-N-(2-ethoxyethyl)-7H-purin-6-amine
CID 104697509
N-(2-chloro-7H-purin-6-yl)-N',N'-dimethylpropane-1,3-diamine
CID 104697478
5-[(2-chloro-7H-purin-6-yl)amino]-2-methylpentan-1-ol
CID 114152174

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chloro-7H-purin-6-yl)-1-N,1-N-diethylpropane-1,2-diamine?
The IUPAC name of 2-N-(2-chloro-7H-purin-6-yl)-1-N,1-N-diethylpropane-1,2-diamine (CID 104697639) is 2-N-(2-chloro-7H-purin-6-yl)-1-N,1-N-diethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(2-chloro-7H-purin-6-yl)-1-N,1-N-diethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(2-chloro-7H-purin-6-yl)-1-N,1-N-diethylpropane-1,2-diamine is CCN(CC)CC(C)Nc1nc(Cl)nc2nc[nH]c12.
What is the InChIKey of 2-N-(2-chloro-7H-purin-6-yl)-1-N,1-N-diethylpropane-1,2-diamine?
The InChIKey is DPJDLQRMNXFPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN6/c1-4-19(5-2)6-8(3)16-11-9-10(15-7-14-9)17-12(13)18-11/h7-8H,4-6H2,1-3H3,(H2,14,15,16,17,18).
What are the key properties of 2-N-(2-chloro-7H-purin-6-yl)-1-N,1-N-diethylpropane-1,2-diamine?
2-N-(2-chloro-7H-purin-6-yl)-1-N,1-N-diethylpropane-1,2-diamine has a molecular weight of 282.78 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-chloro-7H-purin-6-yl)-1-N,1-N-diethylpropane-1,2-diamine is sourced from PubChem (CID 104697639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).