2-(benzhydrylideneamino)-N-ethenylpyrimidin-5-amine

C19H16N4 — CID 144743300

IUPAC2-(benzhydrylideneamino)-N-ethenylpyrimidin-5-amine
SMILESC=CNc1cnc(N=C(c2ccccc2)c2ccccc2)nc1
InChIInChI=1S/C19H16N4/c1-2-20-17-13-21-19(22-14-17)23-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2-14,20H,1H2
InChIKeyBJOYRMBUQOZREJ-UHFFFAOYSA-N
MW300.37 g/mol
LogP4.20
Rot. Bonds5

About 2-(benzhydrylideneamino)-N-ethenylpyrimidin-5-amine

2-(benzhydrylideneamino)-N-ethenylpyrimidin-5-amine (PubChem CID 144743300) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-(benzhydrylideneamino)-N-ethenylpyrimidin-5-amine.

Molecular Properties

Compound Name2-(benzhydrylideneamino)-N-ethenylpyrimidin-5-amine
PubChem CID144743300
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC Name2-(benzhydrylideneamino)-N-ethenylpyrimidin-5-amine
SMILESC=CNc1cnc(N=C(c2ccccc2)c2ccccc2)nc1
InChIInChI=1S/C19H16N4/c1-2-20-17-13-21-19(22-14-17)23-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2-14,20H,1H2
InChIKeyBJOYRMBUQOZREJ-UHFFFAOYSA-N
XLogP4.20
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-(benzhydrylideneamino)-N-ethenylpyrimidin-5-amine 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-(benzhydrylideneamino)-N-ethenylpyrimidin-5-amine?
The IUPAC name of 2-(benzhydrylideneamino)-N-ethenylpyrimidin-5-amine (CID 144743300) is 2-(benzhydrylideneamino)-N-ethenylpyrimidin-5-amine.
What is the SMILES notation for 2-(benzhydrylideneamino)-N-ethenylpyrimidin-5-amine?
The canonical SMILES for 2-(benzhydrylideneamino)-N-ethenylpyrimidin-5-amine is C=CNc1cnc(N=C(c2ccccc2)c2ccccc2)nc1.
What is the InChIKey of 2-(benzhydrylideneamino)-N-ethenylpyrimidin-5-amine?
The InChIKey is BJOYRMBUQOZREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4/c1-2-20-17-13-21-19(22-14-17)23-18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2-14,20H,1H2.
What are the key properties of 2-(benzhydrylideneamino)-N-ethenylpyrimidin-5-amine?
2-(benzhydrylideneamino)-N-ethenylpyrimidin-5-amine has a molecular weight of 300.37 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzhydrylideneamino)-N-ethenylpyrimidin-5-amine is sourced from PubChem (CID 144743300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).