2-[(6-hydrazinyl-2-phenylpyrimidin-4-yl)amino]ethanol

C12H15N5O — CID 112559967

IUPAC2-[(6-hydrazinyl-2-phenylpyrimidin-4-yl)amino]ethanol
SMILESNNc1cc(NCCO)nc(-c2ccccc2)n1
InChIInChI=1S/C12H15N5O/c13-17-11-8-10(14-6-7-18)15-12(16-11)9-4-2-1-3-5-9/h1-5,8,18H,6-7,13H2,(H2,14,15,16,17)
InChIKeyZBQYEJVFOSEZQH-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.83
Rot. Bonds5

About 2-[(6-hydrazinyl-2-phenylpyrimidin-4-yl)amino]ethanol

2-[(6-hydrazinyl-2-phenylpyrimidin-4-yl)amino]ethanol (PubChem CID 112559967) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-[(6-hydrazinyl-2-phenylpyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-hydrazinyl-2-phenylpyrimidin-4-yl)amino]ethanol
PubChem CID112559967
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2-[(6-hydrazinyl-2-phenylpyrimidin-4-yl)amino]ethanol
SMILESNNc1cc(NCCO)nc(-c2ccccc2)n1
InChIInChI=1S/C12H15N5O/c13-17-11-8-10(14-6-7-18)15-12(16-11)9-4-2-1-3-5-9/h1-5,8,18H,6-7,13H2,(H2,14,15,16,17)
InChIKeyZBQYEJVFOSEZQH-UHFFFAOYSA-N
XLogP0.83
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-hydrazinyl-2-phenylpyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[(6-hydrazinyl-2-phenylpyrimidin-4-yl)amino]ethanol (CID 112559967) is 2-[(6-hydrazinyl-2-phenylpyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(6-hydrazinyl-2-phenylpyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[(6-hydrazinyl-2-phenylpyrimidin-4-yl)amino]ethanol is NNc1cc(NCCO)nc(-c2ccccc2)n1.
What is the InChIKey of 2-[(6-hydrazinyl-2-phenylpyrimidin-4-yl)amino]ethanol?
The InChIKey is ZBQYEJVFOSEZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c13-17-11-8-10(14-6-7-18)15-12(16-11)9-4-2-1-3-5-9/h1-5,8,18H,6-7,13H2,(H2,14,15,16,17).
What are the key properties of 2-[(6-hydrazinyl-2-phenylpyrimidin-4-yl)amino]ethanol?
2-[(6-hydrazinyl-2-phenylpyrimidin-4-yl)amino]ethanol has a molecular weight of 245.29 g/mol, XLogP of 0.83, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-hydrazinyl-2-phenylpyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 112559967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).