2-[(9-phenyl-2-thiophen-2-ylpurin-6-yl)amino]ethanol

C17H15N5OS — CID 117090590

IUPAC2-[(9-phenyl-2-thiophen-2-ylpurin-6-yl)amino]ethanol
SMILESOCCNc1nc(-c2cccs2)nc2c1ncn2-c1ccccc1
InChIInChI=1S/C17H15N5OS/c23-9-8-18-16-14-17(21-15(20-16)13-7-4-10-24-13)22(11-19-14)12-5-2-1-3-6-12/h1-7,10-11,23H,8-9H2,(H,18,20,21)
InChIKeySFGSEMCBCKKOTD-UHFFFAOYSA-N
MW337.41 g/mol
LogP2.95
Rot. Bonds5

About 2-[(9-phenyl-2-thiophen-2-ylpurin-6-yl)amino]ethanol

2-[(9-phenyl-2-thiophen-2-ylpurin-6-yl)amino]ethanol (PubChem CID 117090590) has the molecular formula C17H15N5OS and a molecular weight of 337.41 g/mol. Its IUPAC name is 2-[(9-phenyl-2-thiophen-2-ylpurin-6-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(9-phenyl-2-thiophen-2-ylpurin-6-yl)amino]ethanol
PubChem CID117090590
Molecular FormulaC17H15N5OS
Molecular Weight337.41 g/mol
Exact Mass337.10
IUPAC Name2-[(9-phenyl-2-thiophen-2-ylpurin-6-yl)amino]ethanol
SMILESOCCNc1nc(-c2cccs2)nc2c1ncn2-c1ccccc1
InChIInChI=1S/C17H15N5OS/c23-9-8-18-16-14-17(21-15(20-16)13-7-4-10-24-13)22(11-19-14)12-5-2-1-3-6-12/h1-7,10-11,23H,8-9H2,(H,18,20,21)
InChIKeySFGSEMCBCKKOTD-UHFFFAOYSA-N
XLogP2.95
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(9-phenyl-2-thiophen-2-ylpurin-6-yl)amino]ethanol?
The IUPAC name of 2-[(9-phenyl-2-thiophen-2-ylpurin-6-yl)amino]ethanol (CID 117090590) is 2-[(9-phenyl-2-thiophen-2-ylpurin-6-yl)amino]ethanol.
What is the SMILES notation for 2-[(9-phenyl-2-thiophen-2-ylpurin-6-yl)amino]ethanol?
The canonical SMILES for 2-[(9-phenyl-2-thiophen-2-ylpurin-6-yl)amino]ethanol is OCCNc1nc(-c2cccs2)nc2c1ncn2-c1ccccc1.
What is the InChIKey of 2-[(9-phenyl-2-thiophen-2-ylpurin-6-yl)amino]ethanol?
The InChIKey is SFGSEMCBCKKOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS/c23-9-8-18-16-14-17(21-15(20-16)13-7-4-10-24-13)22(11-19-14)12-5-2-1-3-6-12/h1-7,10-11,23H,8-9H2,(H,18,20,21).
What are the key properties of 2-[(9-phenyl-2-thiophen-2-ylpurin-6-yl)amino]ethanol?
2-[(9-phenyl-2-thiophen-2-ylpurin-6-yl)amino]ethanol has a molecular weight of 337.41 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9-phenyl-2-thiophen-2-ylpurin-6-yl)amino]ethanol is sourced from PubChem (CID 117090590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).