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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Related Compounds

4-bromo-5-(3-methylphenyl)pyrimidine
CID 105370964
4-bromo-5-(4-phenylphenyl)pyrimidine
CID 105371256
4-bromo-5-(4-methoxyphenyl)pyrimidine
CID 105370920
4-bromo-5-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine
CID 107290360
4-bromo-5-[3-(2-methylpropyl)phenyl]pyrimidine
CID 105371570
7-bromo-6-(3,4-dimethylanilino)quinazoline-5,8-dione
CID 178179695
4-methyl-5-(3-methylphenyl)pyrimidine
CID 178100912
5-(3,4-dimethylphenyl)-3-methylpyridin-2-amine
CID 83170241
4-(3,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 62901487
6-(3,4-dimethylphenyl)-1,2,4-triazin-5-amine
CID 116822961
1,2-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 20704293
2-methyl-4-(1,3,5-triazin-2-yl)aniline
CID 82468520

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).