2-[(9-ethylpurin-2-yl)amino]ethanol

C9H13N5O — CID 126594159

IUPAC2-[(9-ethylpurin-2-yl)amino]ethanol
SMILESCCn1cnc2cnc(NCCO)nc21
InChIInChI=1S/C9H13N5O/c1-2-14-6-12-7-5-11-9(10-3-4-15)13-8(7)14/h5-6,15H,2-4H2,1H3,(H,10,11,13)
InChIKeyUCOQEXMTJVKTMR-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.25
Rot. Bonds4

About 2-[(9-ethylpurin-2-yl)amino]ethanol

2-[(9-ethylpurin-2-yl)amino]ethanol (PubChem CID 126594159) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 2-[(9-ethylpurin-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(9-ethylpurin-2-yl)amino]ethanol
PubChem CID126594159
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name2-[(9-ethylpurin-2-yl)amino]ethanol
SMILESCCn1cnc2cnc(NCCO)nc21
InChIInChI=1S/C9H13N5O/c1-2-14-6-12-7-5-11-9(10-3-4-15)13-8(7)14/h5-6,15H,2-4H2,1H3,(H,10,11,13)
InChIKeyUCOQEXMTJVKTMR-UHFFFAOYSA-N
XLogP0.25
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(9-ethylpurin-2-yl)amino]ethanol?
The IUPAC name of 2-[(9-ethylpurin-2-yl)amino]ethanol (CID 126594159) is 2-[(9-ethylpurin-2-yl)amino]ethanol.
What is the SMILES notation for 2-[(9-ethylpurin-2-yl)amino]ethanol?
The canonical SMILES for 2-[(9-ethylpurin-2-yl)amino]ethanol is CCn1cnc2cnc(NCCO)nc21.
What is the InChIKey of 2-[(9-ethylpurin-2-yl)amino]ethanol?
The InChIKey is UCOQEXMTJVKTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-2-14-6-12-7-5-11-9(10-3-4-15)13-8(7)14/h5-6,15H,2-4H2,1H3,(H,10,11,13).
What are the key properties of 2-[(9-ethylpurin-2-yl)amino]ethanol?
2-[(9-ethylpurin-2-yl)amino]ethanol has a molecular weight of 207.24 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9-ethylpurin-2-yl)amino]ethanol is sourced from PubChem (CID 126594159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).