5-[(E)-2-phenylethenyl]quinazoline-2,4-diamine

C16H14N4 — CID 6532431

IUPAC5-[(E)-2-phenylethenyl]quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(/C=C/c3ccccc3)cccc2n1
InChIInChI=1S/C16H14N4/c17-15-14-12(10-9-11-5-2-1-3-6-11)7-4-8-13(14)19-16(18)20-15/h1-10H,(H4,17,18,19,20)/b10-9+
InChIKeyYPIDSPOROIRHIL-MDZDMXLPSA-N
MW262.32 g/mol
LogP2.96
Rot. Bonds2

About 5-[(E)-2-phenylethenyl]quinazoline-2,4-diamine

5-[(E)-2-phenylethenyl]quinazoline-2,4-diamine (PubChem CID 6532431) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 5-[(E)-2-phenylethenyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-[(E)-2-phenylethenyl]quinazoline-2,4-diamine
PubChem CID6532431
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name5-[(E)-2-phenylethenyl]quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(/C=C/c3ccccc3)cccc2n1
InChIInChI=1S/C16H14N4/c17-15-14-12(10-9-11-5-2-1-3-6-11)7-4-8-13(14)19-16(18)20-15/h1-10H,(H4,17,18,19,20)/b10-9+
InChIKeyYPIDSPOROIRHIL-MDZDMXLPSA-N
XLogP2.96
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-phenylethenyl]quinazoline-2,4-diamine?
The IUPAC name of 5-[(E)-2-phenylethenyl]quinazoline-2,4-diamine (CID 6532431) is 5-[(E)-2-phenylethenyl]quinazoline-2,4-diamine.
What is the SMILES notation for 5-[(E)-2-phenylethenyl]quinazoline-2,4-diamine?
The canonical SMILES for 5-[(E)-2-phenylethenyl]quinazoline-2,4-diamine is Nc1nc(N)c2c(/C=C/c3ccccc3)cccc2n1.
What is the InChIKey of 5-[(E)-2-phenylethenyl]quinazoline-2,4-diamine?
The InChIKey is YPIDSPOROIRHIL-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H14N4/c17-15-14-12(10-9-11-5-2-1-3-6-11)7-4-8-13(14)19-16(18)20-15/h1-10H,(H4,17,18,19,20)/b10-9+.
What are the key properties of 5-[(E)-2-phenylethenyl]quinazoline-2,4-diamine?
5-[(E)-2-phenylethenyl]quinazoline-2,4-diamine has a molecular weight of 262.32 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-phenylethenyl]quinazoline-2,4-diamine is sourced from PubChem (CID 6532431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).