2-[2-hydroxyethyl(pyrimidin-2-yl)amino]ethanol

C8H13N3O2 — CID 61234744

IUPAC2-[2-hydroxyethyl(pyrimidin-2-yl)amino]ethanol
SMILESOCCN(CCO)c1ncccn1
InChIInChI=1S/C8H13N3O2/c12-6-4-11(5-7-13)8-9-2-1-3-10-8/h1-3,12-13H,4-7H2
InChIKeyMHIISBODRUZGPA-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.73
Rot. Bonds5

About 2-[2-hydroxyethyl(pyrimidin-2-yl)amino]ethanol

2-[2-hydroxyethyl(pyrimidin-2-yl)amino]ethanol (PubChem CID 61234744) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(pyrimidin-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl(pyrimidin-2-yl)amino]ethanol
PubChem CID61234744
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-[2-hydroxyethyl(pyrimidin-2-yl)amino]ethanol
SMILESOCCN(CCO)c1ncccn1
InChIInChI=1S/C8H13N3O2/c12-6-4-11(5-7-13)8-9-2-1-3-10-8/h1-3,12-13H,4-7H2
InChIKeyMHIISBODRUZGPA-UHFFFAOYSA-N
XLogP-0.73
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-hydroxyethyl(pyrimidin-2-yl)amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(pyrimidin-2-yl)amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl(pyrimidin-2-yl)amino]ethanol (CID 61234744) is 2-[2-hydroxyethyl(pyrimidin-2-yl)amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl(pyrimidin-2-yl)amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl(pyrimidin-2-yl)amino]ethanol is OCCN(CCO)c1ncccn1.
What is the InChIKey of 2-[2-hydroxyethyl(pyrimidin-2-yl)amino]ethanol?
The InChIKey is MHIISBODRUZGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c12-6-4-11(5-7-13)8-9-2-1-3-10-8/h1-3,12-13H,4-7H2.
What are the key properties of 2-[2-hydroxyethyl(pyrimidin-2-yl)amino]ethanol?
2-[2-hydroxyethyl(pyrimidin-2-yl)amino]ethanol has a molecular weight of 183.21 g/mol, XLogP of -0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(pyrimidin-2-yl)amino]ethanol is sourced from PubChem (CID 61234744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).