2-(2-methylphenyl)-2-(7H-purin-6-ylsulfanyl)ethanamine

C14H15N5S — CID 62253055

IUPAC2-(2-methylphenyl)-2-(7H-purin-6-ylsulfanyl)ethanamine
SMILESCc1ccccc1C(CN)Sc1ncnc2nc[nH]c12
InChIInChI=1S/C14H15N5S/c1-9-4-2-3-5-10(9)11(6-15)20-14-12-13(17-7-16-12)18-8-19-14/h2-5,7-8,11H,6,15H2,1H3,(H,16,17,18,19)
InChIKeyHVWRVLDSAJFRLF-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.45
Rot. Bonds4

About 2-(2-methylphenyl)-2-(7H-purin-6-ylsulfanyl)ethanamine

2-(2-methylphenyl)-2-(7H-purin-6-ylsulfanyl)ethanamine (PubChem CID 62253055) has the molecular formula C14H15N5S and a molecular weight of 285.38 g/mol. Its IUPAC name is 2-(2-methylphenyl)-2-(7H-purin-6-ylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(2-methylphenyl)-2-(7H-purin-6-ylsulfanyl)ethanamine
PubChem CID62253055
Molecular FormulaC14H15N5S
Molecular Weight285.38 g/mol
Exact Mass285.10
IUPAC Name2-(2-methylphenyl)-2-(7H-purin-6-ylsulfanyl)ethanamine
SMILESCc1ccccc1C(CN)Sc1ncnc2nc[nH]c12
InChIInChI=1S/C14H15N5S/c1-9-4-2-3-5-10(9)11(6-15)20-14-12-13(17-7-16-12)18-8-19-14/h2-5,7-8,11H,6,15H2,1H3,(H,16,17,18,19)
InChIKeyHVWRVLDSAJFRLF-UHFFFAOYSA-N
XLogP2.45
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-1-(7H-purin-6-ylsulfanyl)propan-2-amine
CID 62253975
2-(2-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 55019111
N-methyl-1-[2-(7H-purin-6-ylsulfanyl)phenyl]propan-1-amine
CID 115995838
diethyl 2-(7H-purin-6-ylsulfanyl)propanedioate
CID 134066807
1-(7H-purin-6-ylsulfanyl)-1-pyridin-2-ylbutan-2-amine
CID 62253603
1-(5-methylfuran-2-yl)-1-(7H-purin-6-ylsulfanyl)propan-2-amine
CID 62255029
4-methyl-3-(7H-purin-6-ylsulfanyl)aniline
CID 62588886
3-phenyl-2-(7H-purin-6-ylsulfanyl)propanoic acid
CID 60793479
2-(2-methylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine
CID 65038510
(2R)-2-(7H-purin-6-ylsulfanyl)propanoic acid
CID 7644851
N-methyl-1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanamine
CID 64633270
(2R)-2-(7H-purin-6-ylsulfanyl)propanoate
CID 7644850

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-2-(7H-purin-6-ylsulfanyl)ethanamine?
The IUPAC name of 2-(2-methylphenyl)-2-(7H-purin-6-ylsulfanyl)ethanamine (CID 62253055) is 2-(2-methylphenyl)-2-(7H-purin-6-ylsulfanyl)ethanamine.
What is the SMILES notation for 2-(2-methylphenyl)-2-(7H-purin-6-ylsulfanyl)ethanamine?
The canonical SMILES for 2-(2-methylphenyl)-2-(7H-purin-6-ylsulfanyl)ethanamine is Cc1ccccc1C(CN)Sc1ncnc2nc[nH]c12.
What is the InChIKey of 2-(2-methylphenyl)-2-(7H-purin-6-ylsulfanyl)ethanamine?
The InChIKey is HVWRVLDSAJFRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S/c1-9-4-2-3-5-10(9)11(6-15)20-14-12-13(17-7-16-12)18-8-19-14/h2-5,7-8,11H,6,15H2,1H3,(H,16,17,18,19).
What are the key properties of 2-(2-methylphenyl)-2-(7H-purin-6-ylsulfanyl)ethanamine?
2-(2-methylphenyl)-2-(7H-purin-6-ylsulfanyl)ethanamine has a molecular weight of 285.38 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-2-(7H-purin-6-ylsulfanyl)ethanamine is sourced from PubChem (CID 62253055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).