2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-7H-purin-6-amine

C13H10Cl3N5 — CID 104697470

IUPAC2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-7H-purin-6-amine
SMILESClc1ccc(CCNc2nc(Cl)nc3nc[nH]c23)c(Cl)c1
InChIInChI=1S/C13H10Cl3N5/c14-8-2-1-7(9(15)5-8)3-4-17-11-10-12(19-6-18-10)21-13(16)20-11/h1-2,5-6H,3-4H2,(H2,17,18,19,20,21)
InChIKeySRLBKINAOMWMGN-UHFFFAOYSA-N
MW342.62 g/mol
LogP3.97
Rot. Bonds4

About 2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-7H-purin-6-amine

2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-7H-purin-6-amine (PubChem CID 104697470) has the molecular formula C13H10Cl3N5 and a molecular weight of 342.62 g/mol. Its IUPAC name is 2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-7H-purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-7H-purin-6-amine
PubChem CID104697470
Molecular FormulaC13H10Cl3N5
Molecular Weight342.62 g/mol
Exact Mass341.00
IUPAC Name2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-7H-purin-6-amine
SMILESClc1ccc(CCNc2nc(Cl)nc3nc[nH]c23)c(Cl)c1
InChIInChI=1S/C13H10Cl3N5/c14-8-2-1-7(9(15)5-8)3-4-17-11-10-12(19-6-18-10)21-13(16)20-11/h1-2,5-6H,3-4H2,(H2,17,18,19,20,21)
InChIKeySRLBKINAOMWMGN-UHFFFAOYSA-N
XLogP3.97
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-(4-fluorophenyl)ethyl]-7H-purin-6-amine
CID 104697462
2-chloro-N-[2-(3-fluorophenyl)ethyl]-7H-purin-6-amine
CID 104697506
N-(2-chloro-7H-purin-6-yl)-N',N'-dimethylpropane-1,3-diamine
CID 104697478
2-chloro-N-(3-chloro-4-fluorophenyl)-7H-purin-6-amine
CID 113442631
2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-7H-purin-6-amine
CID 104697689
2-chloro-N-(5-methylhexyl)-7H-purin-6-amine
CID 113442702
3-[(2-chloro-7H-purin-6-yl)amino]-N-methylpropanamide
CID 104697631
5-[(2-chloro-7H-purin-6-yl)amino]-2-methylpentan-1-ol
CID 114152174
N-(3-butoxypropyl)-2-chloro-7H-purin-6-amine
CID 113481188
6-chloro-2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80785018
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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-7H-purin-6-amine?
The IUPAC name of 2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-7H-purin-6-amine (CID 104697470) is 2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-7H-purin-6-amine.
What is the SMILES notation for 2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-7H-purin-6-amine?
The canonical SMILES for 2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-7H-purin-6-amine is Clc1ccc(CCNc2nc(Cl)nc3nc[nH]c23)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-7H-purin-6-amine?
The InChIKey is SRLBKINAOMWMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3N5/c14-8-2-1-7(9(15)5-8)3-4-17-11-10-12(19-6-18-10)21-13(16)20-11/h1-2,5-6H,3-4H2,(H2,17,18,19,20,21).
What are the key properties of 2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-7H-purin-6-amine?
2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-7H-purin-6-amine has a molecular weight of 342.62 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-7H-purin-6-amine is sourced from PubChem (CID 104697470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).