2-(4-bromo-3,5-dimethylphenyl)-4-chloropyrimidine

C12H10BrClN2 — CID 114329490

IUPAC2-(4-bromo-3,5-dimethylphenyl)-4-chloropyrimidine
SMILESCc1cc(-c2nccc(Cl)n2)cc(C)c1Br
InChIInChI=1S/C12H10BrClN2/c1-7-5-9(6-8(2)11(7)13)12-15-4-3-10(14)16-12/h3-6H,1-2H3
InChIKeyRYUTXVIMDMQYOW-UHFFFAOYSA-N
MW297.58 g/mol
LogP4.18
Rot. Bonds1

About 2-(4-bromo-3,5-dimethylphenyl)-4-chloropyrimidine

2-(4-bromo-3,5-dimethylphenyl)-4-chloropyrimidine (PubChem CID 114329490) has the molecular formula C12H10BrClN2 and a molecular weight of 297.58 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylphenyl)-4-chloropyrimidine.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylphenyl)-4-chloropyrimidine
PubChem CID114329490
Molecular FormulaC12H10BrClN2
Molecular Weight297.58 g/mol
Exact Mass295.97
IUPAC Name2-(4-bromo-3,5-dimethylphenyl)-4-chloropyrimidine
SMILESCc1cc(-c2nccc(Cl)n2)cc(C)c1Br
InChIInChI=1S/C12H10BrClN2/c1-7-5-9(6-8(2)11(7)13)12-15-4-3-10(14)16-12/h3-6H,1-2H3
InChIKeyRYUTXVIMDMQYOW-UHFFFAOYSA-N
XLogP4.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.58
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylphenyl)-4-chloropyrimidine?
The IUPAC name of 2-(4-bromo-3,5-dimethylphenyl)-4-chloropyrimidine (CID 114329490) is 2-(4-bromo-3,5-dimethylphenyl)-4-chloropyrimidine.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylphenyl)-4-chloropyrimidine?
The canonical SMILES for 2-(4-bromo-3,5-dimethylphenyl)-4-chloropyrimidine is Cc1cc(-c2nccc(Cl)n2)cc(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylphenyl)-4-chloropyrimidine?
The InChIKey is RYUTXVIMDMQYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2/c1-7-5-9(6-8(2)11(7)13)12-15-4-3-10(14)16-12/h3-6H,1-2H3.
What are the key properties of 2-(4-bromo-3,5-dimethylphenyl)-4-chloropyrimidine?
2-(4-bromo-3,5-dimethylphenyl)-4-chloropyrimidine has a molecular weight of 297.58 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylphenyl)-4-chloropyrimidine is sourced from PubChem (CID 114329490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).