2-[[2-(methylamino)-7H-purin-6-yl]sulfanyl]ethanol

C8H11N5OS — CID 114788274

IUPAC2-[[2-(methylamino)-7H-purin-6-yl]sulfanyl]ethanol
SMILESCNc1nc(SCCO)c2[nH]cnc2n1
InChIInChI=1S/C8H11N5OS/c1-9-8-12-6-5(10-4-11-6)7(13-8)15-3-2-14/h4,14H,2-3H2,1H3,(H2,9,10,11,12,13)
InChIKeyFFPIZYTYHPBKHJ-UHFFFAOYSA-N
MW225.28 g/mol
LogP0.48
Rot. Bonds4

About 2-[[2-(methylamino)-7H-purin-6-yl]sulfanyl]ethanol

2-[[2-(methylamino)-7H-purin-6-yl]sulfanyl]ethanol (PubChem CID 114788274) has the molecular formula C8H11N5OS and a molecular weight of 225.28 g/mol. Its IUPAC name is 2-[[2-(methylamino)-7H-purin-6-yl]sulfanyl]ethanol.

Molecular Properties

Compound Name2-[[2-(methylamino)-7H-purin-6-yl]sulfanyl]ethanol
PubChem CID114788274
Molecular FormulaC8H11N5OS
Molecular Weight225.28 g/mol
Exact Mass225.07
IUPAC Name2-[[2-(methylamino)-7H-purin-6-yl]sulfanyl]ethanol
SMILESCNc1nc(SCCO)c2[nH]cnc2n1
InChIInChI=1S/C8H11N5OS/c1-9-8-12-6-5(10-4-11-6)7(13-8)15-3-2-14/h4,14H,2-3H2,1H3,(H2,9,10,11,12,13)
InChIKeyFFPIZYTYHPBKHJ-UHFFFAOYSA-N
XLogP0.48
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(3,5-dimethylphenyl)methylsulfanyl]-N-methyl-7H-purin-2-amine
CID 114788452
6-(cyclopentylmethylsulfanyl)-N-methyl-7H-purin-2-amine
CID 114788381
N-methyl-6-propan-2-ylsulfanyl-7H-purin-2-amine
CID 114788291
N-ethyl-6-(2-methoxyethylsulfanyl)-7H-purin-2-amine
CID 114788267
N-methyl-6-pyrazin-2-ylsulfanyl-7H-purin-2-amine
CID 114788385
2-[5-methyl-2-(methylamino)pyrimidin-4-yl]sulfanylethanol
CID 80885145
2-[[2-(methylamino)-7H-purin-6-yl]amino]-2-phenylethanol
CID 114785129
5-[methyl-[2-(methylamino)-7H-purin-6-yl]amino]pentan-1-ol
CID 107207561
3-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]pentan-1-ol
CID 114785692
6-N,6-N-diethyl-2-N-methyl-7H-purine-2,6-diamine
CID 114783569
2-methyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propan-1-ol
CID 114785428
2-ethyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]butan-1-ol
CID 114785002

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methylamino)-7H-purin-6-yl]sulfanyl]ethanol?
The IUPAC name of 2-[[2-(methylamino)-7H-purin-6-yl]sulfanyl]ethanol (CID 114788274) is 2-[[2-(methylamino)-7H-purin-6-yl]sulfanyl]ethanol.
What is the SMILES notation for 2-[[2-(methylamino)-7H-purin-6-yl]sulfanyl]ethanol?
The canonical SMILES for 2-[[2-(methylamino)-7H-purin-6-yl]sulfanyl]ethanol is CNc1nc(SCCO)c2[nH]cnc2n1.
What is the InChIKey of 2-[[2-(methylamino)-7H-purin-6-yl]sulfanyl]ethanol?
The InChIKey is FFPIZYTYHPBKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5OS/c1-9-8-12-6-5(10-4-11-6)7(13-8)15-3-2-14/h4,14H,2-3H2,1H3,(H2,9,10,11,12,13).
What are the key properties of 2-[[2-(methylamino)-7H-purin-6-yl]sulfanyl]ethanol?
2-[[2-(methylamino)-7H-purin-6-yl]sulfanyl]ethanol has a molecular weight of 225.28 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methylamino)-7H-purin-6-yl]sulfanyl]ethanol is sourced from PubChem (CID 114788274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).