N-methyl-1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanamine

C14H15N5S — CID 64633270

IUPACN-methyl-1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanamine
SMILESCNC(CSc1ncnc2nc[nH]c12)c1ccccc1
InChIInChI=1S/C14H15N5S/c1-15-11(10-5-3-2-4-6-10)7-20-14-12-13(17-8-16-12)18-9-19-14/h2-6,8-9,11,15H,7H2,1H3,(H,16,17,18,19)
InChIKeyVMBPHTIORGHZFQ-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.41
Rot. Bonds5

About N-methyl-1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanamine

N-methyl-1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanamine (PubChem CID 64633270) has the molecular formula C14H15N5S and a molecular weight of 285.38 g/mol. Its IUPAC name is N-methyl-1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanamine
PubChem CID64633270
Molecular FormulaC14H15N5S
Molecular Weight285.38 g/mol
Exact Mass285.10
IUPAC NameN-methyl-1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanamine
SMILESCNC(CSc1ncnc2nc[nH]c12)c1ccccc1
InChIInChI=1S/C14H15N5S/c1-15-11(10-5-3-2-4-6-10)7-20-14-12-13(17-8-16-12)18-9-19-14/h2-6,8-9,11,15H,7H2,1H3,(H,16,17,18,19)
InChIKeyVMBPHTIORGHZFQ-UHFFFAOYSA-N
XLogP2.41
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,3,3-trimethyl-1-(7H-purin-6-ylsulfanyl)butan-2-amine
CID 64635042
N-methyl-1-[2-(7H-purin-6-ylsulfanyl)phenyl]propan-1-amine
CID 115995838
N-[(1S)-1-phenylethyl]-2-(7H-purin-6-ylsulfanyl)acetamide
CID 726078
N-methyl-2-(7H-purin-6-ylsulfanyl)ethanamine
CID 62255575
6-(3-phenylpropylsulfanyl)-7H-purine
CID 135397811
1-chloro-3-(7H-purin-6-ylsulfanyl)propan-2-ol
CID 10467018
6-[4-(7H-purin-6-ylsulfanyl)butylsulfanyl]-7H-purine
CID 3844803
1-phenyl-N-(7H-purin-6-yl)ethane-1,2-diamine
CID 63761376
N-[(1R)-1-phenylethyl]-7H-purin-6-amine
CID 2155048
6-[(4-methylsulfanylphenyl)methylsulfanyl]-7H-purine
CID 146314022
5-(7H-purin-6-ylsulfanyl)pentanenitrile
CID 55209118
1-[4-[phenyl-(4-phenylphenyl)methyl]piperazin-1-yl]-3-(7H-purin-6-ylsulfanyl)propan-2-ol
CID 15031176

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanamine?
The IUPAC name of N-methyl-1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanamine (CID 64633270) is N-methyl-1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanamine.
What is the SMILES notation for N-methyl-1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanamine?
The canonical SMILES for N-methyl-1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanamine is CNC(CSc1ncnc2nc[nH]c12)c1ccccc1.
What is the InChIKey of N-methyl-1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanamine?
The InChIKey is VMBPHTIORGHZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S/c1-15-11(10-5-3-2-4-6-10)7-20-14-12-13(17-8-16-12)18-9-19-14/h2-6,8-9,11,15H,7H2,1H3,(H,16,17,18,19).
What are the key properties of N-methyl-1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanamine?
N-methyl-1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanamine has a molecular weight of 285.38 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanamine is sourced from PubChem (CID 64633270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).