[2-(4-phenyloxan-4-yl)pyrimidin-4-yl]hydrazine

C15H18N4O — CID 63081361

IUPAC[2-(4-phenyloxan-4-yl)pyrimidin-4-yl]hydrazine
SMILESNNc1ccnc(C2(c3ccccc3)CCOCC2)n1
InChIInChI=1S/C15H18N4O/c16-19-13-6-9-17-14(18-13)15(7-10-20-11-8-15)12-4-2-1-3-5-12/h1-6,9H,7-8,10-11,16H2,(H,17,18,19)
InChIKeyHHBFMDQVQOJGDQ-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.86
Rot. Bonds3

About [2-(4-phenyloxan-4-yl)pyrimidin-4-yl]hydrazine

[2-(4-phenyloxan-4-yl)pyrimidin-4-yl]hydrazine (PubChem CID 63081361) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is [2-(4-phenyloxan-4-yl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(4-phenyloxan-4-yl)pyrimidin-4-yl]hydrazine
PubChem CID63081361
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name[2-(4-phenyloxan-4-yl)pyrimidin-4-yl]hydrazine
SMILESNNc1ccnc(C2(c3ccccc3)CCOCC2)n1
InChIInChI=1S/C15H18N4O/c16-19-13-6-9-17-14(18-13)15(7-10-20-11-8-15)12-4-2-1-3-5-12/h1-6,9H,7-8,10-11,16H2,(H,17,18,19)
InChIKeyHHBFMDQVQOJGDQ-UHFFFAOYSA-N
XLogP1.86
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-(4-phenyloxan-4-yl)pyrimidin-4-yl]hydrazine 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-(4-phenyloxan-4-yl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(4-phenyloxan-4-yl)pyrimidin-4-yl]hydrazine (CID 63081361) is [2-(4-phenyloxan-4-yl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(4-phenyloxan-4-yl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(4-phenyloxan-4-yl)pyrimidin-4-yl]hydrazine is NNc1ccnc(C2(c3ccccc3)CCOCC2)n1.
What is the InChIKey of [2-(4-phenyloxan-4-yl)pyrimidin-4-yl]hydrazine?
The InChIKey is HHBFMDQVQOJGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c16-19-13-6-9-17-14(18-13)15(7-10-20-11-8-15)12-4-2-1-3-5-12/h1-6,9H,7-8,10-11,16H2,(H,17,18,19).
What are the key properties of [2-(4-phenyloxan-4-yl)pyrimidin-4-yl]hydrazine?
[2-(4-phenyloxan-4-yl)pyrimidin-4-yl]hydrazine has a molecular weight of 270.34 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-phenyloxan-4-yl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 63081361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).