2-[(Z)-1-bromo-2-phenylethenyl]-4-methylpyrimidine

C13H11BrN2 — CID 18763166

IUPAC2-[(Z)-1-bromo-2-phenylethenyl]-4-methylpyrimidine
SMILESCc1ccnc(/C(Br)=C/c2ccccc2)n1
InChIInChI=1S/C13H11BrN2/c1-10-7-8-15-13(16-10)12(14)9-11-5-3-2-4-6-11/h2-9H,1H3/b12-9-
InChIKeyBGDAABLEXCEAOB-XFXZXTDPSA-N
MW275.15 g/mol
LogP3.68
Rot. Bonds2

About 2-[(Z)-1-bromo-2-phenylethenyl]-4-methylpyrimidine

2-[(Z)-1-bromo-2-phenylethenyl]-4-methylpyrimidine (PubChem CID 18763166) has the molecular formula C13H11BrN2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 2-[(Z)-1-bromo-2-phenylethenyl]-4-methylpyrimidine.

Molecular Properties

Compound Name2-[(Z)-1-bromo-2-phenylethenyl]-4-methylpyrimidine
PubChem CID18763166
Molecular FormulaC13H11BrN2
Molecular Weight275.15 g/mol
Exact Mass274.01
IUPAC Name2-[(Z)-1-bromo-2-phenylethenyl]-4-methylpyrimidine
SMILESCc1ccnc(/C(Br)=C/c2ccccc2)n1
InChIInChI=1S/C13H11BrN2/c1-10-7-8-15-13(16-10)12(14)9-11-5-3-2-4-6-11/h2-9H,1H3/b12-9-
InChIKeyBGDAABLEXCEAOB-XFXZXTDPSA-N
XLogP3.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-bromo-2-phenylethenyl]-4-methylpyrimidine?
The IUPAC name of 2-[(Z)-1-bromo-2-phenylethenyl]-4-methylpyrimidine (CID 18763166) is 2-[(Z)-1-bromo-2-phenylethenyl]-4-methylpyrimidine.
What is the SMILES notation for 2-[(Z)-1-bromo-2-phenylethenyl]-4-methylpyrimidine?
The canonical SMILES for 2-[(Z)-1-bromo-2-phenylethenyl]-4-methylpyrimidine is Cc1ccnc(/C(Br)=C/c2ccccc2)n1.
What is the InChIKey of 2-[(Z)-1-bromo-2-phenylethenyl]-4-methylpyrimidine?
The InChIKey is BGDAABLEXCEAOB-XFXZXTDPSA-N. The full InChI is InChI=1S/C13H11BrN2/c1-10-7-8-15-13(16-10)12(14)9-11-5-3-2-4-6-11/h2-9H,1H3/b12-9-.
What are the key properties of 2-[(Z)-1-bromo-2-phenylethenyl]-4-methylpyrimidine?
2-[(Z)-1-bromo-2-phenylethenyl]-4-methylpyrimidine has a molecular weight of 275.15 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-bromo-2-phenylethenyl]-4-methylpyrimidine is sourced from PubChem (CID 18763166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).