2-(2-hydrazinyl-6-phenylpyrimidin-4-yl)phenol

C16H14N4O — CID 5217512

IUPAC2-(2-hydrazinyl-6-phenylpyrimidin-4-yl)phenol
SMILESNNc1nc(-c2ccccc2)cc(-c2ccccc2O)n1
InChIInChI=1S/C16H14N4O/c17-20-16-18-13(11-6-2-1-3-7-11)10-14(19-16)12-8-4-5-9-15(12)21/h1-10,21H,17H2,(H,18,19,20)
InChIKeyDNBQZADVMKWIMJ-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.80
Rot. Bonds3

About 2-(2-hydrazinyl-6-phenylpyrimidin-4-yl)phenol

2-(2-hydrazinyl-6-phenylpyrimidin-4-yl)phenol (PubChem CID 5217512) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-(2-hydrazinyl-6-phenylpyrimidin-4-yl)phenol.

Molecular Properties

Compound Name2-(2-hydrazinyl-6-phenylpyrimidin-4-yl)phenol
PubChem CID5217512
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name2-(2-hydrazinyl-6-phenylpyrimidin-4-yl)phenol
SMILESNNc1nc(-c2ccccc2)cc(-c2ccccc2O)n1
InChIInChI=1S/C16H14N4O/c17-20-16-18-13(11-6-2-1-3-7-11)10-14(19-16)12-8-4-5-9-15(12)21/h1-10,21H,17H2,(H,18,19,20)
InChIKeyDNBQZADVMKWIMJ-UHFFFAOYSA-N
XLogP2.80
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(2-hydrazinyl-6-phenylpyrimidin-4-yl)phenol?
The IUPAC name of 2-(2-hydrazinyl-6-phenylpyrimidin-4-yl)phenol (CID 5217512) is 2-(2-hydrazinyl-6-phenylpyrimidin-4-yl)phenol.
What is the SMILES notation for 2-(2-hydrazinyl-6-phenylpyrimidin-4-yl)phenol?
The canonical SMILES for 2-(2-hydrazinyl-6-phenylpyrimidin-4-yl)phenol is NNc1nc(-c2ccccc2)cc(-c2ccccc2O)n1.
What is the InChIKey of 2-(2-hydrazinyl-6-phenylpyrimidin-4-yl)phenol?
The InChIKey is DNBQZADVMKWIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c17-20-16-18-13(11-6-2-1-3-7-11)10-14(19-16)12-8-4-5-9-15(12)21/h1-10,21H,17H2,(H,18,19,20).
What are the key properties of 2-(2-hydrazinyl-6-phenylpyrimidin-4-yl)phenol?
2-(2-hydrazinyl-6-phenylpyrimidin-4-yl)phenol has a molecular weight of 278.31 g/mol, XLogP of 2.80, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydrazinyl-6-phenylpyrimidin-4-yl)phenol is sourced from PubChem (CID 5217512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).