2-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethoxy]ethanol

C13H25N5O2 — CID 81006283

IUPAC2-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethoxy]ethanol
SMILESCc1c(NN)nc(C(C)(C)C)nc1NCCOCCO
InChIInChI=1S/C13H25N5O2/c1-9-10(15-5-7-20-8-6-19)16-12(13(2,3)4)17-11(9)18-14/h19H,5-8,14H2,1-4H3,(H2,15,16,17,18)
InChIKeyGHKIFWGXFYXUGM-UHFFFAOYSA-N
MW283.38 g/mol
LogP0.79
Rot. Bonds7

About 2-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethoxy]ethanol

2-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethoxy]ethanol (PubChem CID 81006283) has the molecular formula C13H25N5O2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethoxy]ethanol
PubChem CID81006283
Molecular FormulaC13H25N5O2
Molecular Weight283.38 g/mol
Exact Mass283.20
IUPAC Name2-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethoxy]ethanol
SMILESCc1c(NN)nc(C(C)(C)C)nc1NCCOCCO
InChIInChI=1S/C13H25N5O2/c1-9-10(15-5-7-20-8-6-19)16-12(13(2,3)4)17-11(9)18-14/h19H,5-8,14H2,1-4H3,(H2,15,16,17,18)
InChIKeyGHKIFWGXFYXUGM-UHFFFAOYSA-N
XLogP0.79
TPSA105.32 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 50.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethoxy]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-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethoxy]ethanol (CID 81006283) is 2-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethoxy]ethanol is Cc1c(NN)nc(C(C)(C)C)nc1NCCOCCO.
What is the InChIKey of 2-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethoxy]ethanol?
The InChIKey is GHKIFWGXFYXUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2/c1-9-10(15-5-7-20-8-6-19)16-12(13(2,3)4)17-11(9)18-14/h19H,5-8,14H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 2-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethoxy]ethanol?
2-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethoxy]ethanol has a molecular weight of 283.38 g/mol, XLogP of 0.79, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethoxy]ethanol is sourced from PubChem (CID 81006283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).