4-N-benzylquinazoline-2,4-diamine

C15H14N4 — CID 57342784

IUPAC4-N-benzylquinazoline-2,4-diamine
SMILESNc1nc(NCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C15H14N4/c16-15-18-13-9-5-4-8-12(13)14(19-15)17-10-11-6-2-1-3-7-11/h1-9H,10H2,(H3,16,17,18,19)
InChIKeyAOPGZFMVGYJPSS-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.82
Rot. Bonds3

About 4-N-benzylquinazoline-2,4-diamine

4-N-benzylquinazoline-2,4-diamine (PubChem CID 57342784) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 4-N-benzylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-benzylquinazoline-2,4-diamine
PubChem CID57342784
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name4-N-benzylquinazoline-2,4-diamine
SMILESNc1nc(NCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C15H14N4/c16-15-18-13-9-5-4-8-12(13)14(19-15)17-10-11-6-2-1-3-7-11/h1-9H,10H2,(H3,16,17,18,19)
InChIKeyAOPGZFMVGYJPSS-UHFFFAOYSA-N
XLogP2.82
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-benzylquinazoline-2,4-diamine 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-N-benzylquinazoline-2,4-diamine?
The IUPAC name of 4-N-benzylquinazoline-2,4-diamine (CID 57342784) is 4-N-benzylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-benzylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-benzylquinazoline-2,4-diamine is Nc1nc(NCc2ccccc2)c2ccccc2n1.
What is the InChIKey of 4-N-benzylquinazoline-2,4-diamine?
The InChIKey is AOPGZFMVGYJPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c16-15-18-13-9-5-4-8-12(13)14(19-15)17-10-11-6-2-1-3-7-11/h1-9H,10H2,(H3,16,17,18,19).
What are the key properties of 4-N-benzylquinazoline-2,4-diamine?
4-N-benzylquinazoline-2,4-diamine has a molecular weight of 250.31 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzylquinazoline-2,4-diamine is sourced from PubChem (CID 57342784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).