2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol

C9H16N6O — CID 80904604

IUPAC2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol
SMILESNNc1cc(N(CCO)C2CC2)nc(N)n1
InChIInChI=1S/C9H16N6O/c10-9-12-7(14-11)5-8(13-9)15(3-4-16)6-1-2-6/h5-6,16H,1-4,11H2,(H3,10,12,13,14)
InChIKeyGMCNBRUPFLEREY-UHFFFAOYSA-N
MW224.27 g/mol
LogP-0.69
Rot. Bonds5

About 2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol

2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol (PubChem CID 80904604) has the molecular formula C9H16N6O and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol.

Molecular Properties

Compound Name2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol
PubChem CID80904604
Molecular FormulaC9H16N6O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Name2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol
SMILESNNc1cc(N(CCO)C2CC2)nc(N)n1
InChIInChI=1S/C9H16N6O/c10-9-12-7(14-11)5-8(13-9)15(3-4-16)6-1-2-6/h5-6,16H,1-4,11H2,(H3,10,12,13,14)
InChIKeyGMCNBRUPFLEREY-UHFFFAOYSA-N
XLogP-0.69
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 5-0.69
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'}

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Related Compounds

2-[cyclobutyl-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol
CID 102875838
2-[cyclobutyl-(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]ethanol
CID 102875846
2-[cyclopentyl-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol
CID 80964712
2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-cyclobutylamino]ethanol
CID 102875864
3-[[2-amino-6-(methylamino)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol
CID 102875573
2-[cyclobutyl-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol
CID 102875854
2-[cyclohexyl-(2,6-diaminopyrimidin-4-yl)amino]ethanol
CID 80810818
2-[cyclopentyl-(6-hydrazinylpyrimidin-4-yl)amino]ethanol
CID 80905074
2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-cyclobutylamino]ethanol
CID 102875779
3-[cyclobutyl-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol
CID 106776229
3-[cyclobutyl-(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 102875789
N-butyl-N-cyclopropyl-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80895719

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol?
The IUPAC name of 2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol (CID 80904604) is 2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol.
What is the SMILES notation for 2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol?
The canonical SMILES for 2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol is NNc1cc(N(CCO)C2CC2)nc(N)n1.
What is the InChIKey of 2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol?
The InChIKey is GMCNBRUPFLEREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O/c10-9-12-7(14-11)5-8(13-9)15(3-4-16)6-1-2-6/h5-6,16H,1-4,11H2,(H3,10,12,13,14).
What are the key properties of 2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol?
2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol has a molecular weight of 224.27 g/mol, XLogP of -0.69, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol is sourced from PubChem (CID 80904604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).