4-bromo-5-(3,4-dimethylphenyl)pyrimidine

C12H11BrN2 — CID 105371046

IUPAC4-bromo-5-(3,4-dimethylphenyl)pyrimidine
SMILESCc1ccc(-c2cncnc2Br)cc1C
InChIInChI=1S/C12H11BrN2/c1-8-3-4-10(5-9(8)2)11-6-14-7-15-12(11)13/h3-7H,1-2H3
InChIKeyCEUOEKOSHATTSF-UHFFFAOYSA-N
MW263.14 g/mol
LogP3.52
Rot. Bonds1

About 4-bromo-5-(3,4-dimethylphenyl)pyrimidine

4-bromo-5-(3,4-dimethylphenyl)pyrimidine (PubChem CID 105371046) has the molecular formula C12H11BrN2 and a molecular weight of 263.14 g/mol. Its IUPAC name is 4-bromo-5-(3,4-dimethylphenyl)pyrimidine.

Molecular Properties

Compound Name4-bromo-5-(3,4-dimethylphenyl)pyrimidine
PubChem CID105371046
Molecular FormulaC12H11BrN2
Molecular Weight263.14 g/mol
Exact Mass262.01
IUPAC Name4-bromo-5-(3,4-dimethylphenyl)pyrimidine
SMILESCc1ccc(-c2cncnc2Br)cc1C
InChIInChI=1S/C12H11BrN2/c1-8-3-4-10(5-9(8)2)11-6-14-7-15-12(11)13/h3-7H,1-2H3
InChIKeyCEUOEKOSHATTSF-UHFFFAOYSA-N
XLogP3.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.14
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(3,4-dimethylphenyl)pyrimidine?
The IUPAC name of 4-bromo-5-(3,4-dimethylphenyl)pyrimidine (CID 105371046) is 4-bromo-5-(3,4-dimethylphenyl)pyrimidine.
What is the SMILES notation for 4-bromo-5-(3,4-dimethylphenyl)pyrimidine?
The canonical SMILES for 4-bromo-5-(3,4-dimethylphenyl)pyrimidine is Cc1ccc(-c2cncnc2Br)cc1C.
What is the InChIKey of 4-bromo-5-(3,4-dimethylphenyl)pyrimidine?
The InChIKey is CEUOEKOSHATTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2/c1-8-3-4-10(5-9(8)2)11-6-14-7-15-12(11)13/h3-7H,1-2H3.
What are the key properties of 4-bromo-5-(3,4-dimethylphenyl)pyrimidine?
4-bromo-5-(3,4-dimethylphenyl)pyrimidine has a molecular weight of 263.14 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(3,4-dimethylphenyl)pyrimidine is sourced from PubChem (CID 105371046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).