2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-7H-purin-6-amine

C11H9Cl2N5S — CID 104697586

IUPAC2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-7H-purin-6-amine
SMILESCC(Nc1nc(Cl)nc2nc[nH]c12)c1ccc(Cl)s1
InChIInChI=1S/C11H9Cl2N5S/c1-5(6-2-3-7(12)19-6)16-10-8-9(15-4-14-8)17-11(13)18-10/h2-5H,1H3,(H2,14,15,16,17,18)
InChIKeyNIHPKNTWCZWESL-UHFFFAOYSA-N
MW314.20 g/mol
LogP3.89
Rot. Bonds3

About 2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-7H-purin-6-amine

2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-7H-purin-6-amine (PubChem CID 104697586) has the molecular formula C11H9Cl2N5S and a molecular weight of 314.20 g/mol. Its IUPAC name is 2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-7H-purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-7H-purin-6-amine
PubChem CID104697586
Molecular FormulaC11H9Cl2N5S
Molecular Weight314.20 g/mol
Exact Mass313.00
IUPAC Name2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-7H-purin-6-amine
SMILESCC(Nc1nc(Cl)nc2nc[nH]c12)c1ccc(Cl)s1
InChIInChI=1S/C11H9Cl2N5S/c1-5(6-2-3-7(12)19-6)16-10-8-9(15-4-14-8)17-11(13)18-10/h2-5H,1H3,(H2,14,15,16,17,18)
InChIKeyNIHPKNTWCZWESL-UHFFFAOYSA-N
XLogP3.89
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-[1-(5-chlorothiophen-2-yl)ethyl]-7H-purine-2,6-diamine
CID 104623268
6-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N-methyl-7H-purine-2,6-diamine
CID 114784241
2-chloro-N-[1-(4-fluorophenyl)ethyl]-7H-purin-6-amine
CID 104697597
2-chloro-N-[1-(3-fluorophenyl)ethyl]-7H-purin-6-amine
CID 104697603
2-[(2-chloro-7H-purin-6-yl)amino]-3-methylbutan-1-ol
CID 104697768
2-[(2-chloro-7H-purin-6-yl)amino]-N-methylpropanamide
CID 104697583
4-[1-(5-chlorothiophen-2-yl)ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136974800
3-N-(2-chloro-7H-purin-6-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 104697610
2-N-(2-chloro-7H-purin-6-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 104697639
2-chloro-N-[di(cyclobutyl)methyl]-7H-purin-6-amine
CID 154927028
(2R,3R)-2-[(2-chloro-7H-purin-6-yl)amino]-3-methylpentanoic acid
CID 97266253
2-chloro-N-(3-propan-2-ylphenyl)-7H-purin-6-amine
CID 104787073

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-7H-purin-6-amine?
The IUPAC name of 2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-7H-purin-6-amine (CID 104697586) is 2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-7H-purin-6-amine.
What is the SMILES notation for 2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-7H-purin-6-amine?
The canonical SMILES for 2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-7H-purin-6-amine is CC(Nc1nc(Cl)nc2nc[nH]c12)c1ccc(Cl)s1.
What is the InChIKey of 2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-7H-purin-6-amine?
The InChIKey is NIHPKNTWCZWESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N5S/c1-5(6-2-3-7(12)19-6)16-10-8-9(15-4-14-8)17-11(13)18-10/h2-5H,1H3,(H2,14,15,16,17,18).
What are the key properties of 2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-7H-purin-6-amine?
2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-7H-purin-6-amine has a molecular weight of 314.20 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-7H-purin-6-amine is sourced from PubChem (CID 104697586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).