2-[3-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]propoxy]ethanol

C13H23N3O2 — CID 110022145

IUPAC2-[3-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]propoxy]ethanol
SMILESCc1ncc(C(C)NCCCOCCO)c(C)n1
InChIInChI=1S/C13H23N3O2/c1-10(14-5-4-7-18-8-6-17)13-9-15-12(3)16-11(13)2/h9-10,14,17H,4-8H2,1-3H3
InChIKeyIUGLQWJOHMTWQC-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.14
Rot. Bonds8

About 2-[3-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]propoxy]ethanol

2-[3-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]propoxy]ethanol (PubChem CID 110022145) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[3-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]propoxy]ethanol.

Molecular Properties

Compound Name2-[3-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]propoxy]ethanol
PubChem CID110022145
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-[3-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]propoxy]ethanol
SMILESCc1ncc(C(C)NCCCOCCO)c(C)n1
InChIInChI=1S/C13H23N3O2/c1-10(14-5-4-7-18-8-6-17)13-9-15-12(3)16-11(13)2/h9-10,14,17H,4-8H2,1-3H3
InChIKeyIUGLQWJOHMTWQC-UHFFFAOYSA-N
XLogP1.14
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[3-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]propoxy]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-[3-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]propoxy]ethanol?
The IUPAC name of 2-[3-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]propoxy]ethanol (CID 110022145) is 2-[3-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]propoxy]ethanol.
What is the SMILES notation for 2-[3-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]propoxy]ethanol?
The canonical SMILES for 2-[3-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]propoxy]ethanol is Cc1ncc(C(C)NCCCOCCO)c(C)n1.
What is the InChIKey of 2-[3-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]propoxy]ethanol?
The InChIKey is IUGLQWJOHMTWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10(14-5-4-7-18-8-6-17)13-9-15-12(3)16-11(13)2/h9-10,14,17H,4-8H2,1-3H3.
What are the key properties of 2-[3-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]propoxy]ethanol?
2-[3-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]propoxy]ethanol has a molecular weight of 253.35 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(2,4-dimethylpyrimidin-5-yl)ethylamino]propoxy]ethanol is sourced from PubChem (CID 110022145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).