N-methyl-3-(7H-purin-6-ylsulfanyl)oxan-4-amine

C11H15N5OS — CID 64633862

IUPACN-methyl-3-(7H-purin-6-ylsulfanyl)oxan-4-amine
SMILESCNC1CCOCC1Sc1ncnc2nc[nH]c12
InChIInChI=1S/C11H15N5OS/c1-12-7-2-3-17-4-8(7)18-11-9-10(14-5-13-9)15-6-16-11/h5-8,12H,2-4H2,1H3,(H,13,14,15,16)
InChIKeyAOPQTUNTMNUTJN-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.82
Rot. Bonds3

About N-methyl-3-(7H-purin-6-ylsulfanyl)oxan-4-amine

N-methyl-3-(7H-purin-6-ylsulfanyl)oxan-4-amine (PubChem CID 64633862) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is N-methyl-3-(7H-purin-6-ylsulfanyl)oxan-4-amine.

Molecular Properties

Compound NameN-methyl-3-(7H-purin-6-ylsulfanyl)oxan-4-amine
PubChem CID64633862
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC NameN-methyl-3-(7H-purin-6-ylsulfanyl)oxan-4-amine
SMILESCNC1CCOCC1Sc1ncnc2nc[nH]c12
InChIInChI=1S/C11H15N5OS/c1-12-7-2-3-17-4-8(7)18-11-9-10(14-5-13-9)15-6-16-11/h5-8,12H,2-4H2,1H3,(H,13,14,15,16)
InChIKeyAOPQTUNTMNUTJN-UHFFFAOYSA-N
XLogP0.82
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(7H-purin-6-ylsulfanyl)cyclohexane-1-carbonitrile
CID 62253236
6-piperidin-4-ylsulfanyl-7H-purine
CID 62255046
2-(7H-purin-6-ylsulfanyl)cyclopentane-1-carboxylic acid
CID 63098084
1-(methylamino)-3-(7H-purin-6-ylsulfanyl)cyclopentane-1-carboxylic acid
CID 79653954
N-methyl-3-(1-methylpyrazol-4-yl)sulfanyloxan-4-amine
CID 64628166
N-methyl-2-(7H-purin-6-ylsulfanyl)ethanamine
CID 62255575
N-methyl-N-(oxan-4-yl)-7H-purin-6-amine
CID 155982544
N-methyl-1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanamine
CID 64633270
N-methyl-6-(oxolan-3-yloxy)-7H-purin-2-amine
CID 114787729
8-(7H-purin-6-ylsulfanyl)-3,7,8,9-tetrahydropurine-2-thione
CID 91596176
N,3,3-trimethyl-1-(7H-purin-6-ylsulfanyl)butan-2-amine
CID 64635042
6-[4-(7H-purin-6-ylsulfanyl)butylsulfanyl]-7H-purine
CID 3844803

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(7H-purin-6-ylsulfanyl)oxan-4-amine?
The IUPAC name of N-methyl-3-(7H-purin-6-ylsulfanyl)oxan-4-amine (CID 64633862) is N-methyl-3-(7H-purin-6-ylsulfanyl)oxan-4-amine.
What is the SMILES notation for N-methyl-3-(7H-purin-6-ylsulfanyl)oxan-4-amine?
The canonical SMILES for N-methyl-3-(7H-purin-6-ylsulfanyl)oxan-4-amine is CNC1CCOCC1Sc1ncnc2nc[nH]c12.
What is the InChIKey of N-methyl-3-(7H-purin-6-ylsulfanyl)oxan-4-amine?
The InChIKey is AOPQTUNTMNUTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-12-7-2-3-17-4-8(7)18-11-9-10(14-5-13-9)15-6-16-11/h5-8,12H,2-4H2,1H3,(H,13,14,15,16).
What are the key properties of N-methyl-3-(7H-purin-6-ylsulfanyl)oxan-4-amine?
N-methyl-3-(7H-purin-6-ylsulfanyl)oxan-4-amine has a molecular weight of 265.34 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(7H-purin-6-ylsulfanyl)oxan-4-amine is sourced from PubChem (CID 64633862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).