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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Related Compounds

2-chloro-N-(3,4-dimethylcyclohexyl)-7H-purin-6-amine
CID 113442687
2-chloro-N-cyclooctyl-7H-purin-6-amine
CID 11587232
2-chloro-N-(3-tricyclo[3.2.1.02,4]octanyl)-7H-purin-6-amine
CID 114096303
2-chloro-N-(4-morpholin-4-ylcyclohexyl)-7H-purin-6-amine
CID 87725250
2-chloro-N-[di(cyclobutyl)methyl]-7H-purin-6-amine
CID 154927028
2-chloro-N-[(1S,2S)-2-methoxycyclopentyl]-7H-purin-6-amine
CID 141233178
6-N-cyclopropyl-7H-purine-2,6-diamine;hydrochloride
CID 19934360
3,5-dichloro-6-N-(3-methylsulfanylcyclopentyl)pyridine-2,6-diamine
CID 114124115
2-chloro-N-propyl-7H-purin-6-amine
CID 22149709
6-N-cyclobutyl-7H-purine-2,6-diamine
CID 18430660
3-[(2-chloro-7H-purin-6-yl)amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 118689248
2,6-dichloro-7H-purine
CID 10750289

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).