1-cyclohexyl-2-(7H-purin-6-ylsulfanyl)ethanamine

C13H19N5S — CID 104755514

IUPAC1-cyclohexyl-2-(7H-purin-6-ylsulfanyl)ethanamine
SMILESNC(CSc1ncnc2nc[nH]c12)C1CCCCC1
InChIInChI=1S/C13H19N5S/c14-10(9-4-2-1-3-5-9)6-19-13-11-12(16-7-15-11)17-8-18-13/h7-10H,1-6,14H2,(H,15,16,17,18)
InChIKeyHDKJAZVRAZAFNF-UHFFFAOYSA-N
MW277.40 g/mol
LogP2.35
Rot. Bonds4

About 1-cyclohexyl-2-(7H-purin-6-ylsulfanyl)ethanamine

1-cyclohexyl-2-(7H-purin-6-ylsulfanyl)ethanamine (PubChem CID 104755514) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is 1-cyclohexyl-2-(7H-purin-6-ylsulfanyl)ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-2-(7H-purin-6-ylsulfanyl)ethanamine
PubChem CID104755514
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC Name1-cyclohexyl-2-(7H-purin-6-ylsulfanyl)ethanamine
SMILESNC(CSc1ncnc2nc[nH]c12)C1CCCCC1
InChIInChI=1S/C13H19N5S/c14-10(9-4-2-1-3-5-9)6-19-13-11-12(16-7-15-11)17-8-18-13/h7-10H,1-6,14H2,(H,15,16,17,18)
InChIKeyHDKJAZVRAZAFNF-UHFFFAOYSA-N
XLogP2.35
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-chloro-3-(7H-purin-6-ylsulfanyl)propan-2-ol
CID 10467018
6-[4-(7H-purin-6-ylsulfanyl)butylsulfanyl]-7H-purine
CID 3844803
1-cyclohexyl-2-quinazolin-4-ylsulfanylethanamine
CID 104755506
5-(7H-purin-6-ylsulfanyl)pentanenitrile
CID 55209118
3,3,3-trifluoro-2-(7H-purin-6-ylsulfanylmethyl)propanimidamide
CID 103371434
N,3,3-trimethyl-1-(7H-purin-6-ylsulfanyl)butan-2-amine
CID 64635042
1-(azepan-1-yl)-2-(7H-purin-6-ylsulfanyl)ethanone
CID 56736233
N-methyl-1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanamine
CID 64633270
2-(7H-purin-6-ylsulfanyl)cyclohexane-1-carbonitrile
CID 62253236
2-amino-4-(7H-purin-6-ylsulfanyl)butanoic acid
CID 21122775
2-methyl-2-(propan-2-ylamino)-3-(7H-purin-6-ylsulfanyl)propanamide
CID 62254679
6-(7H-purin-6-ylsulfanyl)hexan-1-ol
CID 103736339

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(7H-purin-6-ylsulfanyl)ethanamine?
The IUPAC name of 1-cyclohexyl-2-(7H-purin-6-ylsulfanyl)ethanamine (CID 104755514) is 1-cyclohexyl-2-(7H-purin-6-ylsulfanyl)ethanamine.
What is the SMILES notation for 1-cyclohexyl-2-(7H-purin-6-ylsulfanyl)ethanamine?
The canonical SMILES for 1-cyclohexyl-2-(7H-purin-6-ylsulfanyl)ethanamine is NC(CSc1ncnc2nc[nH]c12)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(7H-purin-6-ylsulfanyl)ethanamine?
The InChIKey is HDKJAZVRAZAFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c14-10(9-4-2-1-3-5-9)6-19-13-11-12(16-7-15-11)17-8-18-13/h7-10H,1-6,14H2,(H,15,16,17,18).
What are the key properties of 1-cyclohexyl-2-(7H-purin-6-ylsulfanyl)ethanamine?
1-cyclohexyl-2-(7H-purin-6-ylsulfanyl)ethanamine has a molecular weight of 277.40 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(7H-purin-6-ylsulfanyl)ethanamine is sourced from PubChem (CID 104755514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).