2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol

C8H14BrN5O2 — CID 80898903

IUPAC2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
SMILESNNc1ncc(Br)c(N(CCO)CCO)n1
InChIInChI=1S/C8H14BrN5O2/c9-6-5-11-8(13-10)12-7(6)14(1-3-15)2-4-16/h5,15-16H,1-4,10H2,(H,11,12,13)
InChIKeyHFUNYBBGFSIGJR-UHFFFAOYSA-N
MW292.14 g/mol
LogP-0.68
Rot. Bonds6

About 2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol

2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol (PubChem CID 80898903) has the molecular formula C8H14BrN5O2 and a molecular weight of 292.14 g/mol. Its IUPAC name is 2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
PubChem CID80898903
Molecular FormulaC8H14BrN5O2
Molecular Weight292.14 g/mol
Exact Mass291.03
IUPAC Name2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
SMILESNNc1ncc(Br)c(N(CCO)CCO)n1
InChIInChI=1S/C8H14BrN5O2/c9-6-5-11-8(13-10)12-7(6)14(1-3-15)2-4-16/h5,15-16H,1-4,10H2,(H,11,12,13)
InChIKeyHFUNYBBGFSIGJR-UHFFFAOYSA-N
XLogP-0.68
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 5-0.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)-(2-hydroxyethyl)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

Related Compounds

2-[benzyl-(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]ethanol
CID 80908270
5-bromo-2-hydrazinyl-N,N-bis(3-methylbutyl)pyrimidin-4-amine
CID 107871847
2-[(2-hydrazinyl-5-methylpyrimidin-4-yl)-propylamino]ethanol
CID 80896004
5-bromo-2-hydrazinyl-N-methyl-N-propylpyrimidin-4-amine
CID 80895372
2-[ethyl-(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]ethanol
CID 80898789
2-[(2-amino-5-bromopyrimidin-4-yl)-ethylamino]ethanol
CID 80790255
2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495355
2-(5-bromo-2-hydrazinylpyrimidin-4-yl)sulfanylethanol
CID 80921412
2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80904213
2-[(2-hydrazinylquinazolin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 80898602
2-[2-hydroxyethyl-[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80797115
5-bromo-N-ethyl-2-hydrazinyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 80908616

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol (CID 80898903) is 2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol is NNc1ncc(Br)c(N(CCO)CCO)n1.
What is the InChIKey of 2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol?
The InChIKey is HFUNYBBGFSIGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrN5O2/c9-6-5-11-8(13-10)12-7(6)14(1-3-15)2-4-16/h5,15-16H,1-4,10H2,(H,11,12,13).
What are the key properties of 2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol?
2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol has a molecular weight of 292.14 g/mol, XLogP of -0.68, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 80898903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).