N-(2-chloro-7H-purin-6-yl)-N',N'-dimethylpropane-1,3-diamine

C10H15ClN6 — CID 104697478

IUPACN-(2-chloro-7H-purin-6-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C10H15ClN6/c1-17(2)5-3-4-12-8-7-9(14-6-13-7)16-10(11)15-8/h6H,3-5H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyBTUHFNUDAWUNRS-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.37
Rot. Bonds5

About N-(2-chloro-7H-purin-6-yl)-N',N'-dimethylpropane-1,3-diamine

N-(2-chloro-7H-purin-6-yl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 104697478) has the molecular formula C10H15ClN6 and a molecular weight of 254.72 g/mol. Its IUPAC name is N-(2-chloro-7H-purin-6-yl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2-chloro-7H-purin-6-yl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID104697478
Molecular FormulaC10H15ClN6
Molecular Weight254.72 g/mol
Exact Mass254.10
IUPAC NameN-(2-chloro-7H-purin-6-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C10H15ClN6/c1-17(2)5-3-4-12-8-7-9(14-6-13-7)16-10(11)15-8/h6H,3-5H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyBTUHFNUDAWUNRS-UHFFFAOYSA-N
XLogP1.37
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-propyl-7H-purin-6-amine
CID 22149709
2-chloro-N-(5-methylhexyl)-7H-purin-6-amine
CID 113442702
N-(3-butoxypropyl)-2-chloro-7H-purin-6-amine
CID 113481188
5-[(2-chloro-7H-purin-6-yl)amino]-2-methylpentan-1-ol
CID 114152174
3-N-(2-chloro-7H-purin-6-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 104697610
2-chloro-N-(2-ethoxyethyl)-7H-purin-6-amine
CID 104697509
3-[(2-chloro-7H-purin-6-yl)amino]-N-methylpropanamide
CID 104697631
2-chloro-N-[2-(4-fluorophenyl)ethyl]-7H-purin-6-amine
CID 104697462
4-[(2-chloro-7H-purin-6-yl)amino]-1-methoxybutan-2-ol
CID 106248433
3-[(2-chloro-7H-purin-6-yl)amino]-N-propylpropanamide
CID 113442663
2-[(2-chloro-7H-purin-6-yl)oxy]-N,N-dimethylethanamine
CID 104786985
2-chloro-N-(2-prop-2-ynylsulfanylethyl)-7H-purin-6-amine
CID 106432038

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-7H-purin-6-yl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(2-chloro-7H-purin-6-yl)-N',N'-dimethylpropane-1,3-diamine (CID 104697478) is N-(2-chloro-7H-purin-6-yl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(2-chloro-7H-purin-6-yl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(2-chloro-7H-purin-6-yl)-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNc1nc(Cl)nc2nc[nH]c12.
What is the InChIKey of N-(2-chloro-7H-purin-6-yl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is BTUHFNUDAWUNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN6/c1-17(2)5-3-4-12-8-7-9(14-6-13-7)16-10(11)15-8/h6H,3-5H2,1-2H3,(H2,12,13,14,15,16).
What are the key properties of N-(2-chloro-7H-purin-6-yl)-N',N'-dimethylpropane-1,3-diamine?
N-(2-chloro-7H-purin-6-yl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 254.72 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-7H-purin-6-yl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 104697478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).