2-[(9-ethyl-6-methylsulfanylpurin-2-yl)amino]ethanol

C10H15N5OS — CID 174331779

IUPAC2-[(9-ethyl-6-methylsulfanylpurin-2-yl)amino]ethanol
SMILESCCn1cnc2c(SC)nc(NCCO)nc21
InChIInChI=1S/C10H15N5OS/c1-3-15-6-12-7-8(15)13-10(11-4-5-16)14-9(7)17-2/h6,16H,3-5H2,1-2H3,(H,11,13,14)
InChIKeyVYWUMKFRVFACNU-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.97
Rot. Bonds5

About 2-[(9-ethyl-6-methylsulfanylpurin-2-yl)amino]ethanol

2-[(9-ethyl-6-methylsulfanylpurin-2-yl)amino]ethanol (PubChem CID 174331779) has the molecular formula C10H15N5OS and a molecular weight of 253.33 g/mol. Its IUPAC name is 2-[(9-ethyl-6-methylsulfanylpurin-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(9-ethyl-6-methylsulfanylpurin-2-yl)amino]ethanol
PubChem CID174331779
Molecular FormulaC10H15N5OS
Molecular Weight253.33 g/mol
Exact Mass253.10
IUPAC Name2-[(9-ethyl-6-methylsulfanylpurin-2-yl)amino]ethanol
SMILESCCn1cnc2c(SC)nc(NCCO)nc21
InChIInChI=1S/C10H15N5OS/c1-3-15-6-12-7-8(15)13-10(11-4-5-16)14-9(7)17-2/h6,16H,3-5H2,1-2H3,(H,11,13,14)
InChIKeyVYWUMKFRVFACNU-UHFFFAOYSA-N
XLogP0.97
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(9-ethyl-6-methylsulfanylpurin-2-yl)amino]ethanol?
The IUPAC name of 2-[(9-ethyl-6-methylsulfanylpurin-2-yl)amino]ethanol (CID 174331779) is 2-[(9-ethyl-6-methylsulfanylpurin-2-yl)amino]ethanol.
What is the SMILES notation for 2-[(9-ethyl-6-methylsulfanylpurin-2-yl)amino]ethanol?
The canonical SMILES for 2-[(9-ethyl-6-methylsulfanylpurin-2-yl)amino]ethanol is CCn1cnc2c(SC)nc(NCCO)nc21.
What is the InChIKey of 2-[(9-ethyl-6-methylsulfanylpurin-2-yl)amino]ethanol?
The InChIKey is VYWUMKFRVFACNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS/c1-3-15-6-12-7-8(15)13-10(11-4-5-16)14-9(7)17-2/h6,16H,3-5H2,1-2H3,(H,11,13,14).
What are the key properties of 2-[(9-ethyl-6-methylsulfanylpurin-2-yl)amino]ethanol?
2-[(9-ethyl-6-methylsulfanylpurin-2-yl)amino]ethanol has a molecular weight of 253.33 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9-ethyl-6-methylsulfanylpurin-2-yl)amino]ethanol is sourced from PubChem (CID 174331779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).