6-(cyclopentylmethylsulfanyl)-N-methyl-7H-purin-2-amine

C12H17N5S — CID 114788381

IUPAC6-(cyclopentylmethylsulfanyl)-N-methyl-7H-purin-2-amine
SMILESCNc1nc(SCC2CCCC2)c2[nH]cnc2n1
InChIInChI=1S/C12H17N5S/c1-13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-3-5-8/h7-8H,2-6H2,1H3,(H2,13,14,15,16,17)
InChIKeySPAFASRZRFQVLV-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.68
Rot. Bonds4

About 6-(cyclopentylmethylsulfanyl)-N-methyl-7H-purin-2-amine

6-(cyclopentylmethylsulfanyl)-N-methyl-7H-purin-2-amine (PubChem CID 114788381) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 6-(cyclopentylmethylsulfanyl)-N-methyl-7H-purin-2-amine.

Molecular Properties

Compound Name6-(cyclopentylmethylsulfanyl)-N-methyl-7H-purin-2-amine
PubChem CID114788381
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name6-(cyclopentylmethylsulfanyl)-N-methyl-7H-purin-2-amine
SMILESCNc1nc(SCC2CCCC2)c2[nH]cnc2n1
InChIInChI=1S/C12H17N5S/c1-13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-3-5-8/h7-8H,2-6H2,1H3,(H2,13,14,15,16,17)
InChIKeySPAFASRZRFQVLV-UHFFFAOYSA-N
XLogP2.68
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(methylamino)-7H-purin-6-yl]sulfanyl]ethanol
CID 114788274
6-[(3,5-dimethylphenyl)methylsulfanyl]-N-methyl-7H-purin-2-amine
CID 114788452
N-methyl-6-propan-2-ylsulfanyl-7H-purin-2-amine
CID 114788291
6-(cyclopropylmethoxy)-N-methyl-7H-purin-2-amine
CID 114786939
6-(2-cyclopropylethoxy)-N-methyl-7H-purin-2-amine
CID 106207558
N-methyl-6-pyrazin-2-ylsulfanyl-7H-purin-2-amine
CID 114788385
N-methyl-6-(2-methylcyclohexyl)oxy-7H-purin-2-amine
CID 114786878
6-N-(4-ethylcyclohexyl)-2-N-methyl-7H-purine-2,6-diamine
CID 114784239
2-N-methyl-6-N-(thian-2-ylmethyl)-7H-purine-2,6-diamine
CID 114785710
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methyl-7H-purin-2-amine
CID 114785647
2-N-methyl-6-N-(1-methylpiperidin-3-yl)-7H-purine-2,6-diamine
CID 114784075
N-methyl-6-(oxolan-3-ylmethoxy)-7H-purin-2-amine
CID 114787546

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylmethylsulfanyl)-N-methyl-7H-purin-2-amine?
The IUPAC name of 6-(cyclopentylmethylsulfanyl)-N-methyl-7H-purin-2-amine (CID 114788381) is 6-(cyclopentylmethylsulfanyl)-N-methyl-7H-purin-2-amine.
What is the SMILES notation for 6-(cyclopentylmethylsulfanyl)-N-methyl-7H-purin-2-amine?
The canonical SMILES for 6-(cyclopentylmethylsulfanyl)-N-methyl-7H-purin-2-amine is CNc1nc(SCC2CCCC2)c2[nH]cnc2n1.
What is the InChIKey of 6-(cyclopentylmethylsulfanyl)-N-methyl-7H-purin-2-amine?
The InChIKey is SPAFASRZRFQVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-3-5-8/h7-8H,2-6H2,1H3,(H2,13,14,15,16,17).
What are the key properties of 6-(cyclopentylmethylsulfanyl)-N-methyl-7H-purin-2-amine?
6-(cyclopentylmethylsulfanyl)-N-methyl-7H-purin-2-amine has a molecular weight of 263.37 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylmethylsulfanyl)-N-methyl-7H-purin-2-amine is sourced from PubChem (CID 114788381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).