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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Related Compounds

2-[(9-ethyl-6-methylsulfanylpurin-2-yl)amino]ethanol
CID 174331779
2-[[9-ethyl-8-[[4-(trifluoromethyl)phenyl]methylamino]purin-2-yl]amino]ethanol
CID 151552270
2-[[8-(benzylamino)-9-propylpurin-2-yl]amino]ethanol
CID 175383389
2-(2-aminopurin-9-yl)ethanol;ethane
CID 142975458
2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 58763740
2-[[2-(methylamino)pteridin-7-yl]amino]ethanol
CID 169075061
[2-(methylamino)purin-9-yl]methyl icosanoate
CID 19791498
9-cyclopentyl-N-(4-methoxybutyl)purin-2-amine
CID 141012555
9-ethyl-2-N-[2-(2-fluorophenyl)ethyl]purine-2,6-diamine
CID 18440348
2-[[4-(dimethylamino)-2-(prop-2-enylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
CID 134520169
9-propylpurin-2-amine
CID 58755499
2-[(4-amino-5-ethanimidoylpyrimidin-2-yl)amino]ethanol
CID 143150934

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).