1-(2-hydroxyethylamino)-1-(2H-pyrimidin-1-yl)ethanol

C8H15N3O2 — CID 175233948

IUPAC1-(2-hydroxyethylamino)-1-(2H-pyrimidin-1-yl)ethanol
SMILESCC(O)(NCCO)N1C=CC=NC1
InChIInChI=1S/C8H15N3O2/c1-8(13,10-4-6-12)11-5-2-3-9-7-11/h2-3,5,10,12-13H,4,6-7H2,1H3
InChIKeyUGAIUMQIRJUUMT-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.91
Rot. Bonds4

About 1-(2-hydroxyethylamino)-1-(2H-pyrimidin-1-yl)ethanol

1-(2-hydroxyethylamino)-1-(2H-pyrimidin-1-yl)ethanol (PubChem CID 175233948) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-(2-hydroxyethylamino)-1-(2H-pyrimidin-1-yl)ethanol.

Molecular Properties

Compound Name1-(2-hydroxyethylamino)-1-(2H-pyrimidin-1-yl)ethanol
PubChem CID175233948
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name1-(2-hydroxyethylamino)-1-(2H-pyrimidin-1-yl)ethanol
SMILESCC(O)(NCCO)N1C=CC=NC1
InChIInChI=1S/C8H15N3O2/c1-8(13,10-4-6-12)11-5-2-3-9-7-11/h2-3,5,10,12-13H,4,6-7H2,1H3
InChIKeyUGAIUMQIRJUUMT-UHFFFAOYSA-N
XLogP-0.91
TPSA68.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(2-hydroxyethylamino)-1-(2H-pyrimidin-1-yl)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 1-(2-hydroxyethylamino)-1-(2H-pyrimidin-1-yl)ethanol?
The IUPAC name of 1-(2-hydroxyethylamino)-1-(2H-pyrimidin-1-yl)ethanol (CID 175233948) is 1-(2-hydroxyethylamino)-1-(2H-pyrimidin-1-yl)ethanol.
What is the SMILES notation for 1-(2-hydroxyethylamino)-1-(2H-pyrimidin-1-yl)ethanol?
The canonical SMILES for 1-(2-hydroxyethylamino)-1-(2H-pyrimidin-1-yl)ethanol is CC(O)(NCCO)N1C=CC=NC1.
What is the InChIKey of 1-(2-hydroxyethylamino)-1-(2H-pyrimidin-1-yl)ethanol?
The InChIKey is UGAIUMQIRJUUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-8(13,10-4-6-12)11-5-2-3-9-7-11/h2-3,5,10,12-13H,4,6-7H2,1H3.
What are the key properties of 1-(2-hydroxyethylamino)-1-(2H-pyrimidin-1-yl)ethanol?
1-(2-hydroxyethylamino)-1-(2H-pyrimidin-1-yl)ethanol has a molecular weight of 185.23 g/mol, XLogP of -0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethylamino)-1-(2H-pyrimidin-1-yl)ethanol is sourced from PubChem (CID 175233948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).