4-N-benzylquinazoline-4,6-diamine

C15H14N4 — CID 5328028

IUPAC4-N-benzylquinazoline-4,6-diamine
SMILESNc1ccc2ncnc(NCc3ccccc3)c2c1
InChIInChI=1S/C15H14N4/c16-12-6-7-14-13(8-12)15(19-10-18-14)17-9-11-4-2-1-3-5-11/h1-8,10H,9,16H2,(H,17,18,19)
InChIKeyKLOMJHRLJJRYDX-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.82
Rot. Bonds3

About 4-N-benzylquinazoline-4,6-diamine

4-N-benzylquinazoline-4,6-diamine (PubChem CID 5328028) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 4-N-benzylquinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-benzylquinazoline-4,6-diamine
PubChem CID5328028
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name4-N-benzylquinazoline-4,6-diamine
SMILESNc1ccc2ncnc(NCc3ccccc3)c2c1
InChIInChI=1S/C15H14N4/c16-12-6-7-14-13(8-12)15(19-10-18-14)17-9-11-4-2-1-3-5-11/h1-8,10H,9,16H2,(H,17,18,19)
InChIKeyKLOMJHRLJJRYDX-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-benzylquinazoline-4,6-diamine?
The IUPAC name of 4-N-benzylquinazoline-4,6-diamine (CID 5328028) is 4-N-benzylquinazoline-4,6-diamine.
What is the SMILES notation for 4-N-benzylquinazoline-4,6-diamine?
The canonical SMILES for 4-N-benzylquinazoline-4,6-diamine is Nc1ccc2ncnc(NCc3ccccc3)c2c1.
What is the InChIKey of 4-N-benzylquinazoline-4,6-diamine?
The InChIKey is KLOMJHRLJJRYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c16-12-6-7-14-13(8-12)15(19-10-18-14)17-9-11-4-2-1-3-5-11/h1-8,10H,9,16H2,(H,17,18,19).
What are the key properties of 4-N-benzylquinazoline-4,6-diamine?
4-N-benzylquinazoline-4,6-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-4,6-diamine is sourced from PubChem (CID 5328028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).