N,3,3-trimethyl-1-(7H-purin-6-ylsulfanyl)butan-2-amine

C12H19N5S — CID 64635042

IUPACN,3,3-trimethyl-1-(7H-purin-6-ylsulfanyl)butan-2-amine
SMILESCNC(CSc1ncnc2nc[nH]c12)C(C)(C)C
InChIInChI=1S/C12H19N5S/c1-12(2,3)8(13-4)5-18-11-9-10(15-6-14-9)16-7-17-11/h6-8,13H,5H2,1-4H3,(H,14,15,16,17)
InChIKeyOGWAGYMFIWKBJG-UHFFFAOYSA-N
MW265.39 g/mol
LogP2.08
Rot. Bonds4

About N,3,3-trimethyl-1-(7H-purin-6-ylsulfanyl)butan-2-amine

N,3,3-trimethyl-1-(7H-purin-6-ylsulfanyl)butan-2-amine (PubChem CID 64635042) has the molecular formula C12H19N5S and a molecular weight of 265.39 g/mol. Its IUPAC name is N,3,3-trimethyl-1-(7H-purin-6-ylsulfanyl)butan-2-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-1-(7H-purin-6-ylsulfanyl)butan-2-amine
PubChem CID64635042
Molecular FormulaC12H19N5S
Molecular Weight265.39 g/mol
Exact Mass265.14
IUPAC NameN,3,3-trimethyl-1-(7H-purin-6-ylsulfanyl)butan-2-amine
SMILESCNC(CSc1ncnc2nc[nH]c12)C(C)(C)C
InChIInChI=1S/C12H19N5S/c1-12(2,3)8(13-4)5-18-11-9-10(15-6-14-9)16-7-17-11/h6-8,13H,5H2,1-4H3,(H,14,15,16,17)
InChIKeyOGWAGYMFIWKBJG-UHFFFAOYSA-N
XLogP2.08
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-phenyl-2-(7H-purin-6-ylsulfanyl)ethanamine
CID 64633270
N-methyl-2-(7H-purin-6-ylsulfanyl)ethanamine
CID 62255575
1-chloro-3-(7H-purin-6-ylsulfanyl)propan-2-ol
CID 10467018
6-[4-(7H-purin-6-ylsulfanyl)butylsulfanyl]-7H-purine
CID 3844803
2-methyl-4-(7H-purin-6-ylsulfanyl)butan-2-ol
CID 79359571
6-(2-methylbutan-2-ylsulfanyl)-7H-purine
CID 3457706
2-methyl-2-(methylamino)-6-(7H-purin-6-ylsulfanyl)hexanenitrile
CID 62253618
6-dodecylsulfanyl-7H-purine
CID 3778984
2-methyl-2-(methylamino)-6-(7H-purin-6-ylsulfanyl)hexanoic acid
CID 62253999
2-methyl-2-(propan-2-ylamino)-3-(7H-purin-6-ylsulfanyl)propanamide
CID 62254679
methyl 2-methyl-2-(methylamino)-4-(7H-purin-6-ylsulfanyl)butanoate
CID 62254340
1-cyclohexyl-2-(7H-purin-6-ylsulfanyl)ethanamine
CID 104755514

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-1-(7H-purin-6-ylsulfanyl)butan-2-amine?
The IUPAC name of N,3,3-trimethyl-1-(7H-purin-6-ylsulfanyl)butan-2-amine (CID 64635042) is N,3,3-trimethyl-1-(7H-purin-6-ylsulfanyl)butan-2-amine.
What is the SMILES notation for N,3,3-trimethyl-1-(7H-purin-6-ylsulfanyl)butan-2-amine?
The canonical SMILES for N,3,3-trimethyl-1-(7H-purin-6-ylsulfanyl)butan-2-amine is CNC(CSc1ncnc2nc[nH]c12)C(C)(C)C.
What is the InChIKey of N,3,3-trimethyl-1-(7H-purin-6-ylsulfanyl)butan-2-amine?
The InChIKey is OGWAGYMFIWKBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5S/c1-12(2,3)8(13-4)5-18-11-9-10(15-6-14-9)16-7-17-11/h6-8,13H,5H2,1-4H3,(H,14,15,16,17).
What are the key properties of N,3,3-trimethyl-1-(7H-purin-6-ylsulfanyl)butan-2-amine?
N,3,3-trimethyl-1-(7H-purin-6-ylsulfanyl)butan-2-amine has a molecular weight of 265.39 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-1-(7H-purin-6-ylsulfanyl)butan-2-amine is sourced from PubChem (CID 64635042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).