5-bromo-4-chloro-2-(3,5-dimethylphenyl)pyrimidine

C12H10BrClN2 — CID 66312284

IUPAC5-bromo-4-chloro-2-(3,5-dimethylphenyl)pyrimidine
SMILESCc1cc(C)cc(-c2ncc(Br)c(Cl)n2)c1
InChIInChI=1S/C12H10BrClN2/c1-7-3-8(2)5-9(4-7)12-15-6-10(13)11(14)16-12/h3-6H,1-2H3
InChIKeyWTZPBHUIUWHODE-UHFFFAOYSA-N
MW297.58 g/mol
LogP4.18
Rot. Bonds1

About 5-bromo-4-chloro-2-(3,5-dimethylphenyl)pyrimidine

5-bromo-4-chloro-2-(3,5-dimethylphenyl)pyrimidine (PubChem CID 66312284) has the molecular formula C12H10BrClN2 and a molecular weight of 297.58 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(3,5-dimethylphenyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(3,5-dimethylphenyl)pyrimidine
PubChem CID66312284
Molecular FormulaC12H10BrClN2
Molecular Weight297.58 g/mol
Exact Mass295.97
IUPAC Name5-bromo-4-chloro-2-(3,5-dimethylphenyl)pyrimidine
SMILESCc1cc(C)cc(-c2ncc(Br)c(Cl)n2)c1
InChIInChI=1S/C12H10BrClN2/c1-7-3-8(2)5-9(4-7)12-15-6-10(13)11(14)16-12/h3-6H,1-2H3
InChIKeyWTZPBHUIUWHODE-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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Related Compounds

5-bromo-2-(3-bromo-4-fluorophenyl)-4-chloropyrimidine
CID 82809152
5-bromo-4-chloro-2-(4-ethoxyphenyl)pyrimidine
CID 66312090
5-bromo-4-chloro-2-(1-methylimidazol-4-yl)pyrimidine
CID 130598652
5-bromo-4-chloro-2-(4,5-dimethyl-1H-imidazol-2-yl)pyrimidine
CID 164661947
5-bromo-4-chloro-2-(3-propan-2-yloxyphenyl)pyrimidine
CID 66314230
4-chloro-2-(3,5-dimethylphenyl)-6-ethyl-5-methylpyrimidine
CID 63549645
5-bromo-4-chloro-2-(1-methylpyrazol-3-yl)pyrimidine
CID 66291840
4-chloro-2-(2,6-dimethyl-4-pyridinyl)-5-iodopyrimidine
CID 107502289
5-bromo-2-chloro-4-methylpyrimidine;5-bromo-2,4-dichloropyrimidine
CID 159405542
5-(5-bromo-4-chloropyrimidin-2-yl)-2-methoxy-1,3-thiazole
CID 130590473
4-chloro-2-(3,5-dimethylphenyl)-5,7-dimethylquinazoline
CID 114589846
5-bromo-4-chloro-2-fluoropyrimidine
CID 174338994

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(3,5-dimethylphenyl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-(3,5-dimethylphenyl)pyrimidine (CID 66312284) is 5-bromo-4-chloro-2-(3,5-dimethylphenyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-(3,5-dimethylphenyl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-(3,5-dimethylphenyl)pyrimidine is Cc1cc(C)cc(-c2ncc(Br)c(Cl)n2)c1.
What is the InChIKey of 5-bromo-4-chloro-2-(3,5-dimethylphenyl)pyrimidine?
The InChIKey is WTZPBHUIUWHODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2/c1-7-3-8(2)5-9(4-7)12-15-6-10(13)11(14)16-12/h3-6H,1-2H3.
What are the key properties of 5-bromo-4-chloro-2-(3,5-dimethylphenyl)pyrimidine?
5-bromo-4-chloro-2-(3,5-dimethylphenyl)pyrimidine 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 5-bromo-4-chloro-2-(3,5-dimethylphenyl)pyrimidine is sourced from PubChem (CID 66312284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).