cis-(1S,3R)-3-(2-chloro-6-methylsulfanylpurin-9-yl)cyclopentan-1-amine

C11H14ClN5S — CID 178035519

IUPACcis-(1S,3R)-3-(2-chloro-6-methylsulfanylpurin-9-yl)cyclopentan-1-amine
SMILESCSc1nc(Cl)nc2c1ncn2[C@@H]1CC[C@H](N)C1
InChIInChI=1S/C11H14ClN5S/c1-18-10-8-9(15-11(12)16-10)17(5-14-8)7-3-2-6(13)4-7/h5-7H,2-4,13H2,1H3/t6-,7+/m0/s1
InChIKeyXZMOLULWUNQDHZ-NKWVEPMBSA-N
MW283.79 g/mol
LogP2.25
Rot. Bonds2

About cis-(1S,3R)-3-(2-chloro-6-methylsulfanylpurin-9-yl)cyclopentan-1-amine

cis-(1S,3R)-3-(2-chloro-6-methylsulfanylpurin-9-yl)cyclopentan-1-amine (PubChem CID 178035519) has the molecular formula C11H14ClN5S and a molecular weight of 283.79 g/mol. Its IUPAC name is cis-(1S,3R)-3-(2-chloro-6-methylsulfanylpurin-9-yl)cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-(2-chloro-6-methylsulfanylpurin-9-yl)cyclopentan-1-amine
PubChem CID178035519
Molecular FormulaC11H14ClN5S
Molecular Weight283.79 g/mol
Exact Mass283.07
IUPAC Namecis-(1S,3R)-3-(2-chloro-6-methylsulfanylpurin-9-yl)cyclopentan-1-amine
SMILESCSc1nc(Cl)nc2c1ncn2[C@@H]1CC[C@H](N)C1
InChIInChI=1S/C11H14ClN5S/c1-18-10-8-9(15-11(12)16-10)17(5-14-8)7-3-2-6(13)4-7/h5-7H,2-4,13H2,1H3/t6-,7+/m0/s1
InChIKeyXZMOLULWUNQDHZ-NKWVEPMBSA-N
XLogP2.25
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.79
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(2-amino-6-methylsulfanylpurin-9-yl)cyclobutyl]methanol
CID 150364719
N-[(2-chloro-6-methylsulfanylpurin-9-yl)methyl]-N-methylacetamide
CID 135030737
2-chloro-9-[(3R)-3-methylcyclopentyl]-N-[(3R)-oxolan-3-yl]purin-6-amine
CID 142067507
2-chloro-9-(3-methylidenecyclobutyl)purin-6-amine
CID 134895588
1-(2-chloro-9-cyclopentylpurin-6-yl)-1-(2-chlorophenyl)hydrazine
CID 18001860
(3S)-3-(5,7-dichloro-6-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carbaldehyde
CID 171107161
[4-(2-amino-6-methylsulfanylpurin-9-yl)cyclopent-2-en-1-yl]methanol
CID 19822707
[(1S,4R)-4-(2-amino-6-methylsulfanylpurin-9-yl)cyclopent-2-en-1-yl]methanol
CID 67797601
3-(7-amino-5-chloroimidazo[4,5-b]pyridin-3-yl)-N-methylcyclopentane-1-carboxamide
CID 162735541
6-chloro-9-(3-methylcyclopentyl)purine
CID 171628994
6-chloro-9-cyclobutylpurin-2-amine
CID 14781927
cis-(1R,3S)-3-(7-chloro-5-methylimidazo[4,5-b]pyridin-3-yl)cyclopentane-1-carboxylic acid;ethane
CID 162735505

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-(2-chloro-6-methylsulfanylpurin-9-yl)cyclopentan-1-amine?
The IUPAC name of cis-(1S,3R)-3-(2-chloro-6-methylsulfanylpurin-9-yl)cyclopentan-1-amine (CID 178035519) is cis-(1S,3R)-3-(2-chloro-6-methylsulfanylpurin-9-yl)cyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-(2-chloro-6-methylsulfanylpurin-9-yl)cyclopentan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-(2-chloro-6-methylsulfanylpurin-9-yl)cyclopentan-1-amine is CSc1nc(Cl)nc2c1ncn2[C@@H]1CC[C@H](N)C1.
What is the InChIKey of cis-(1S,3R)-3-(2-chloro-6-methylsulfanylpurin-9-yl)cyclopentan-1-amine?
The InChIKey is XZMOLULWUNQDHZ-NKWVEPMBSA-N. The full InChI is InChI=1S/C11H14ClN5S/c1-18-10-8-9(15-11(12)16-10)17(5-14-8)7-3-2-6(13)4-7/h5-7H,2-4,13H2,1H3/t6-,7+/m0/s1.
What are the key properties of cis-(1S,3R)-3-(2-chloro-6-methylsulfanylpurin-9-yl)cyclopentan-1-amine?
cis-(1S,3R)-3-(2-chloro-6-methylsulfanylpurin-9-yl)cyclopentan-1-amine has a molecular weight of 283.79 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-(2-chloro-6-methylsulfanylpurin-9-yl)cyclopentan-1-amine is sourced from PubChem (CID 178035519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).