N-methyl-2-(7H-purin-6-ylsulfanyl)ethanamine

C8H11N5S — CID 62255575

IUPACN-methyl-2-(7H-purin-6-ylsulfanyl)ethanamine
SMILESCNCCSc1ncnc2nc[nH]c12
InChIInChI=1S/C8H11N5S/c1-9-2-3-14-8-6-7(11-4-10-6)12-5-13-8/h4-5,9H,2-3H2,1H3,(H,10,11,12,13)
InChIKeyNWHNPQFYCUWAES-UHFFFAOYSA-N
MW209.28 g/mol
LogP0.66
Rot. Bonds4

About N-methyl-2-(7H-purin-6-ylsulfanyl)ethanamine

N-methyl-2-(7H-purin-6-ylsulfanyl)ethanamine (PubChem CID 62255575) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is N-methyl-2-(7H-purin-6-ylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(7H-purin-6-ylsulfanyl)ethanamine
PubChem CID62255575
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC NameN-methyl-2-(7H-purin-6-ylsulfanyl)ethanamine
SMILESCNCCSc1ncnc2nc[nH]c12
InChIInChI=1S/C8H11N5S/c1-9-2-3-14-8-6-7(11-4-10-6)12-5-13-8/h4-5,9H,2-3H2,1H3,(H,10,11,12,13)
InChIKeyNWHNPQFYCUWAES-UHFFFAOYSA-N
XLogP0.66
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[4-(7H-purin-6-ylsulfanyl)butylsulfanyl]-7H-purine
CID 3844803
6-dodecylsulfanyl-7H-purine
CID 3778984
N-propyl-6-(7H-purin-6-ylsulfanyl)hexan-3-amine
CID 106808341
2-methyl-4-(7H-purin-6-ylsulfanyl)butan-2-ol
CID 79359571
6-(7H-purin-6-ylsulfanyl)hexan-1-ol
CID 103736339
1-methyl-1-nitroso-3-[2-(7H-purin-6-ylsulfanyl)ethyl]urea
CID 522954
5-(7H-purin-6-ylsulfanyl)pentanenitrile
CID 55209118
2-methyl-2-(methylamino)-6-(7H-purin-6-ylsulfanyl)hexanenitrile
CID 62253618
N,3,3-trimethyl-1-(7H-purin-6-ylsulfanyl)butan-2-amine
CID 64635042
2-methyl-2-(methylamino)-6-(7H-purin-6-ylsulfanyl)hexanoic acid
CID 62253999
methyl 2-methyl-2-(methylamino)-4-(7H-purin-6-ylsulfanyl)butanoate
CID 62254340
6-(3-phenylpropylsulfanyl)-7H-purine
CID 135397811

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(7H-purin-6-ylsulfanyl)ethanamine?
The IUPAC name of N-methyl-2-(7H-purin-6-ylsulfanyl)ethanamine (CID 62255575) is N-methyl-2-(7H-purin-6-ylsulfanyl)ethanamine.
What is the SMILES notation for N-methyl-2-(7H-purin-6-ylsulfanyl)ethanamine?
The canonical SMILES for N-methyl-2-(7H-purin-6-ylsulfanyl)ethanamine is CNCCSc1ncnc2nc[nH]c12.
What is the InChIKey of N-methyl-2-(7H-purin-6-ylsulfanyl)ethanamine?
The InChIKey is NWHNPQFYCUWAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-9-2-3-14-8-6-7(11-4-10-6)12-5-13-8/h4-5,9H,2-3H2,1H3,(H,10,11,12,13).
What are the key properties of N-methyl-2-(7H-purin-6-ylsulfanyl)ethanamine?
N-methyl-2-(7H-purin-6-ylsulfanyl)ethanamine has a molecular weight of 209.28 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(7H-purin-6-ylsulfanyl)ethanamine is sourced from PubChem (CID 62255575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).