2-chloro-N-(3-methylsulfanylcyclopentyl)-7H-purin-6-amine

C11H14ClN5S — CID 114123831

IUPAC2-chloro-N-(3-methylsulfanylcyclopentyl)-7H-purin-6-amine
SMILESCSC1CCC(Nc2nc(Cl)nc3nc[nH]c23)C1
InChIInChI=1S/C11H14ClN5S/c1-18-7-3-2-6(4-7)15-10-8-9(14-5-13-8)16-11(12)17-10/h5-7H,2-4H2,1H3,(H2,13,14,15,16,17)
InChIKeyDPNIHUMDACSBJT-UHFFFAOYSA-N
MW283.79 g/mol
LogP2.70
Rot. Bonds3

About 2-chloro-N-(3-methylsulfanylcyclopentyl)-7H-purin-6-amine

2-chloro-N-(3-methylsulfanylcyclopentyl)-7H-purin-6-amine (PubChem CID 114123831) has the molecular formula C11H14ClN5S and a molecular weight of 283.79 g/mol. Its IUPAC name is 2-chloro-N-(3-methylsulfanylcyclopentyl)-7H-purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-(3-methylsulfanylcyclopentyl)-7H-purin-6-amine
PubChem CID114123831
Molecular FormulaC11H14ClN5S
Molecular Weight283.79 g/mol
Exact Mass283.07
IUPAC Name2-chloro-N-(3-methylsulfanylcyclopentyl)-7H-purin-6-amine
SMILESCSC1CCC(Nc2nc(Cl)nc3nc[nH]c23)C1
InChIInChI=1S/C11H14ClN5S/c1-18-7-3-2-6(4-7)15-10-8-9(14-5-13-8)16-11(12)17-10/h5-7H,2-4H2,1H3,(H2,13,14,15,16,17)
InChIKeyDPNIHUMDACSBJT-UHFFFAOYSA-N
XLogP2.70
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.79
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methylsulfanylcyclopentyl)-7H-purin-6-amine?
The IUPAC name of 2-chloro-N-(3-methylsulfanylcyclopentyl)-7H-purin-6-amine (CID 114123831) is 2-chloro-N-(3-methylsulfanylcyclopentyl)-7H-purin-6-amine.
What is the SMILES notation for 2-chloro-N-(3-methylsulfanylcyclopentyl)-7H-purin-6-amine?
The canonical SMILES for 2-chloro-N-(3-methylsulfanylcyclopentyl)-7H-purin-6-amine is CSC1CCC(Nc2nc(Cl)nc3nc[nH]c23)C1.
What is the InChIKey of 2-chloro-N-(3-methylsulfanylcyclopentyl)-7H-purin-6-amine?
The InChIKey is DPNIHUMDACSBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5S/c1-18-7-3-2-6(4-7)15-10-8-9(14-5-13-8)16-11(12)17-10/h5-7H,2-4H2,1H3,(H2,13,14,15,16,17).
What are the key properties of 2-chloro-N-(3-methylsulfanylcyclopentyl)-7H-purin-6-amine?
2-chloro-N-(3-methylsulfanylcyclopentyl)-7H-purin-6-amine has a molecular weight of 283.79 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methylsulfanylcyclopentyl)-7H-purin-6-amine is sourced from PubChem (CID 114123831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).