2-methyl-4-(7H-purin-6-ylsulfanyl)butan-2-ol

C10H14N4OS — CID 79359571

IUPAC2-methyl-4-(7H-purin-6-ylsulfanyl)butan-2-ol
SMILESCC(C)(O)CCSc1ncnc2nc[nH]c12
InChIInChI=1S/C10H14N4OS/c1-10(2,15)3-4-16-9-7-8(12-5-11-7)13-6-14-9/h5-6,15H,3-4H2,1-2H3,(H,11,12,13,14)
InChIKeySCLGCGJPJHOMSU-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.61
Rot. Bonds4

About 2-methyl-4-(7H-purin-6-ylsulfanyl)butan-2-ol

2-methyl-4-(7H-purin-6-ylsulfanyl)butan-2-ol (PubChem CID 79359571) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 2-methyl-4-(7H-purin-6-ylsulfanyl)butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-(7H-purin-6-ylsulfanyl)butan-2-ol
PubChem CID79359571
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name2-methyl-4-(7H-purin-6-ylsulfanyl)butan-2-ol
SMILESCC(C)(O)CCSc1ncnc2nc[nH]c12
InChIInChI=1S/C10H14N4OS/c1-10(2,15)3-4-16-9-7-8(12-5-11-7)13-6-14-9/h5-6,15H,3-4H2,1-2H3,(H,11,12,13,14)
InChIKeySCLGCGJPJHOMSU-UHFFFAOYSA-N
XLogP1.61
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(7H-purin-6-ylsulfanyl)butylsulfanyl]-7H-purine
CID 3844803
2,2-dimethyl-5-(7H-purin-6-ylsulfanyl)pentanenitrile
CID 65257500
methyl 2-methyl-2-(methylamino)-4-(7H-purin-6-ylsulfanyl)butanoate
CID 62254340
2-amino-2-methyl-6-(7H-purin-6-ylsulfanyl)hexanamide
CID 62254165
N-methyl-2-(7H-purin-6-ylsulfanyl)ethanamine
CID 62255575
6-dodecylsulfanyl-7H-purine
CID 3778984
6-(7H-purin-6-ylsulfanyl)hexan-1-ol
CID 103736339
2-methyl-2-(methylamino)-6-(7H-purin-6-ylsulfanyl)hexanoic acid
CID 62253999
2-methyl-2-(methylamino)-6-(7H-purin-6-ylsulfanyl)hexanenitrile
CID 62253618
6-(2-methylbutan-2-ylsulfanyl)-7H-purine
CID 3457706
5-(7H-purin-6-ylsulfanyl)pentanenitrile
CID 55209118
2-amino-4-(7H-purin-6-ylsulfanyl)butanoic acid
CID 21122775

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(7H-purin-6-ylsulfanyl)butan-2-ol?
The IUPAC name of 2-methyl-4-(7H-purin-6-ylsulfanyl)butan-2-ol (CID 79359571) is 2-methyl-4-(7H-purin-6-ylsulfanyl)butan-2-ol.
What is the SMILES notation for 2-methyl-4-(7H-purin-6-ylsulfanyl)butan-2-ol?
The canonical SMILES for 2-methyl-4-(7H-purin-6-ylsulfanyl)butan-2-ol is CC(C)(O)CCSc1ncnc2nc[nH]c12.
What is the InChIKey of 2-methyl-4-(7H-purin-6-ylsulfanyl)butan-2-ol?
The InChIKey is SCLGCGJPJHOMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-10(2,15)3-4-16-9-7-8(12-5-11-7)13-6-14-9/h5-6,15H,3-4H2,1-2H3,(H,11,12,13,14).
What are the key properties of 2-methyl-4-(7H-purin-6-ylsulfanyl)butan-2-ol?
2-methyl-4-(7H-purin-6-ylsulfanyl)butan-2-ol has a molecular weight of 238.32 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(7H-purin-6-ylsulfanyl)butan-2-ol is sourced from PubChem (CID 79359571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).