4,6-diphenylpyrimidine-2-carbohydrazide

C17H14N4O — CID 781071

IUPAC4,6-diphenylpyrimidine-2-carbohydrazide
SMILESNNC(=O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C17H14N4O/c18-21-17(22)16-19-14(12-7-3-1-4-8-12)11-15(20-16)13-9-5-2-6-10-13/h1-11H,18H2,(H,21,22)
InChIKeyWQLVMRVQMYSEQZ-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.41
Rot. Bonds3

About 4,6-diphenylpyrimidine-2-carbohydrazide

4,6-diphenylpyrimidine-2-carbohydrazide (PubChem CID 781071) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 4,6-diphenylpyrimidine-2-carbohydrazide.

Molecular Properties

Compound Name4,6-diphenylpyrimidine-2-carbohydrazide
PubChem CID781071
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name4,6-diphenylpyrimidine-2-carbohydrazide
SMILESNNC(=O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C17H14N4O/c18-21-17(22)16-19-14(12-7-3-1-4-8-12)11-15(20-16)13-9-5-2-6-10-13/h1-11H,18H2,(H,21,22)
InChIKeyWQLVMRVQMYSEQZ-UHFFFAOYSA-N
XLogP2.41
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,6-diphenylpyrimidine-2-carbohydrazide 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 4,6-diphenylpyrimidine-2-carbohydrazide?
The IUPAC name of 4,6-diphenylpyrimidine-2-carbohydrazide (CID 781071) is 4,6-diphenylpyrimidine-2-carbohydrazide.
What is the SMILES notation for 4,6-diphenylpyrimidine-2-carbohydrazide?
The canonical SMILES for 4,6-diphenylpyrimidine-2-carbohydrazide is NNC(=O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1.
What is the InChIKey of 4,6-diphenylpyrimidine-2-carbohydrazide?
The InChIKey is WQLVMRVQMYSEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c18-21-17(22)16-19-14(12-7-3-1-4-8-12)11-15(20-16)13-9-5-2-6-10-13/h1-11H,18H2,(H,21,22).
What are the key properties of 4,6-diphenylpyrimidine-2-carbohydrazide?
4,6-diphenylpyrimidine-2-carbohydrazide has a molecular weight of 290.33 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenylpyrimidine-2-carbohydrazide is sourced from PubChem (CID 781071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).