2-[4-[2-(4-bromophenyl)ethenyl]phenyl]-4-methylpyrimidine

C19H15BrN2 — CID 54033608

IUPAC2-[4-[2-(4-bromophenyl)ethenyl]phenyl]-4-methylpyrimidine
SMILESCc1ccnc(-c2ccc(C=Cc3ccc(Br)cc3)cc2)n1
InChIInChI=1S/C19H15BrN2/c1-14-12-13-21-19(22-14)17-8-4-15(5-9-17)2-3-16-6-10-18(20)11-7-16/h2-13H,1H3
InChIKeyLHIYLFBISVLGPT-UHFFFAOYSA-N
MW351.25 g/mol
LogP5.38
Rot. Bonds3

About 2-[4-[2-(4-bromophenyl)ethenyl]phenyl]-4-methylpyrimidine

2-[4-[2-(4-bromophenyl)ethenyl]phenyl]-4-methylpyrimidine (PubChem CID 54033608) has the molecular formula C19H15BrN2 and a molecular weight of 351.25 g/mol. Its IUPAC name is 2-[4-[2-(4-bromophenyl)ethenyl]phenyl]-4-methylpyrimidine.

Molecular Properties

Compound Name2-[4-[2-(4-bromophenyl)ethenyl]phenyl]-4-methylpyrimidine
PubChem CID54033608
Molecular FormulaC19H15BrN2
Molecular Weight351.25 g/mol
Exact Mass350.04
IUPAC Name2-[4-[2-(4-bromophenyl)ethenyl]phenyl]-4-methylpyrimidine
SMILESCc1ccnc(-c2ccc(C=Cc3ccc(Br)cc3)cc2)n1
InChIInChI=1S/C19H15BrN2/c1-14-12-13-21-19(22-14)17-8-4-15(5-9-17)2-3-16-6-10-18(20)11-7-16/h2-13H,1H3
InChIKeyLHIYLFBISVLGPT-UHFFFAOYSA-N
XLogP5.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.25
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-bromophenyl)ethenyl]phenyl]-4-methylpyrimidine?
The IUPAC name of 2-[4-[2-(4-bromophenyl)ethenyl]phenyl]-4-methylpyrimidine (CID 54033608) is 2-[4-[2-(4-bromophenyl)ethenyl]phenyl]-4-methylpyrimidine.
What is the SMILES notation for 2-[4-[2-(4-bromophenyl)ethenyl]phenyl]-4-methylpyrimidine?
The canonical SMILES for 2-[4-[2-(4-bromophenyl)ethenyl]phenyl]-4-methylpyrimidine is Cc1ccnc(-c2ccc(C=Cc3ccc(Br)cc3)cc2)n1.
What is the InChIKey of 2-[4-[2-(4-bromophenyl)ethenyl]phenyl]-4-methylpyrimidine?
The InChIKey is LHIYLFBISVLGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2/c1-14-12-13-21-19(22-14)17-8-4-15(5-9-17)2-3-16-6-10-18(20)11-7-16/h2-13H,1H3.
What are the key properties of 2-[4-[2-(4-bromophenyl)ethenyl]phenyl]-4-methylpyrimidine?
2-[4-[2-(4-bromophenyl)ethenyl]phenyl]-4-methylpyrimidine has a molecular weight of 351.25 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-bromophenyl)ethenyl]phenyl]-4-methylpyrimidine is sourced from PubChem (CID 54033608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).