5-bromo-2-(3,5-dimethylphenyl)pyrimidine

C12H11BrN2 — CID 86688751

IUPAC5-bromo-2-(3,5-dimethylphenyl)pyrimidine
SMILESCc1cc(C)cc(-c2ncc(Br)cn2)c1
InChIInChI=1S/C12H11BrN2/c1-8-3-9(2)5-10(4-8)12-14-6-11(13)7-15-12/h3-7H,1-2H3
InChIKeyKVPBNNGSOMYKPM-UHFFFAOYSA-N
MW263.14 g/mol
LogP3.52
Rot. Bonds1

About 5-bromo-2-(3,5-dimethylphenyl)pyrimidine

5-bromo-2-(3,5-dimethylphenyl)pyrimidine (PubChem CID 86688751) has the molecular formula C12H11BrN2 and a molecular weight of 263.14 g/mol. Its IUPAC name is 5-bromo-2-(3,5-dimethylphenyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-(3,5-dimethylphenyl)pyrimidine
PubChem CID86688751
Molecular FormulaC12H11BrN2
Molecular Weight263.14 g/mol
Exact Mass262.01
IUPAC Name5-bromo-2-(3,5-dimethylphenyl)pyrimidine
SMILESCc1cc(C)cc(-c2ncc(Br)cn2)c1
InChIInChI=1S/C12H11BrN2/c1-8-3-9(2)5-10(4-8)12-14-6-11(13)7-15-12/h3-7H,1-2H3
InChIKeyKVPBNNGSOMYKPM-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

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CID 81752
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CID 750803
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CID 755305
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CID 915660
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CID 24229559
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CID 233337
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CID 259157
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3,5-dimethylphenyl)pyrimidine?
The IUPAC name of 5-bromo-2-(3,5-dimethylphenyl)pyrimidine (CID 86688751) is 5-bromo-2-(3,5-dimethylphenyl)pyrimidine.
What is the SMILES notation for 5-bromo-2-(3,5-dimethylphenyl)pyrimidine?
The canonical SMILES for 5-bromo-2-(3,5-dimethylphenyl)pyrimidine is Cc1cc(C)cc(-c2ncc(Br)cn2)c1.
What is the InChIKey of 5-bromo-2-(3,5-dimethylphenyl)pyrimidine?
The InChIKey is KVPBNNGSOMYKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2/c1-8-3-9(2)5-10(4-8)12-14-6-11(13)7-15-12/h3-7H,1-2H3.
What are the key properties of 5-bromo-2-(3,5-dimethylphenyl)pyrimidine?
5-bromo-2-(3,5-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 5-bromo-2-(3,5-dimethylphenyl)pyrimidine is sourced from PubChem (CID 86688751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).