5-bromo-4-chloro-2-(2,4-dimethylphenyl)-6-ethylpyrimidine

C14H14BrClN2 — CID 66313232

IUPAC5-bromo-4-chloro-2-(2,4-dimethylphenyl)-6-ethylpyrimidine
SMILESCCc1nc(-c2ccc(C)cc2C)nc(Cl)c1Br
InChIInChI=1S/C14H14BrClN2/c1-4-11-12(15)13(16)18-14(17-11)10-6-5-8(2)7-9(10)3/h5-7H,4H2,1-3H3
InChIKeyLOKJOXCEOCRZBN-UHFFFAOYSA-N
MW325.64 g/mol
LogP4.74
Rot. Bonds2

About 5-bromo-4-chloro-2-(2,4-dimethylphenyl)-6-ethylpyrimidine

5-bromo-4-chloro-2-(2,4-dimethylphenyl)-6-ethylpyrimidine (PubChem CID 66313232) has the molecular formula C14H14BrClN2 and a molecular weight of 325.64 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(2,4-dimethylphenyl)-6-ethylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(2,4-dimethylphenyl)-6-ethylpyrimidine
PubChem CID66313232
Molecular FormulaC14H14BrClN2
Molecular Weight325.64 g/mol
Exact Mass324.00
IUPAC Name5-bromo-4-chloro-2-(2,4-dimethylphenyl)-6-ethylpyrimidine
SMILESCCc1nc(-c2ccc(C)cc2C)nc(Cl)c1Br
InChIInChI=1S/C14H14BrClN2/c1-4-11-12(15)13(16)18-14(17-11)10-6-5-8(2)7-9(10)3/h5-7H,4H2,1-3H3
InChIKeyLOKJOXCEOCRZBN-UHFFFAOYSA-N
XLogP4.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.64
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-4-chloro-2-(2,5-dimethylphenyl)-6-ethylpyrimidine
CID 66313424
6,8-dibromo-4-chloro-2-(2,4-dimethylphenyl)quinazoline
CID 63497676
2-(2,4-dimethylphenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 63561539
8-bromo-4-chloro-2-(2,4-dimethylphenyl)-6-methylquinazoline
CID 114589664
4-chloro-2-(2,4-dimethylphenyl)-8-ethylquinazoline
CID 114591032
5-bromo-4-chloro-2-(2-ethoxyphenyl)-6-ethylpyrimidine
CID 66311864
5-bromo-4-chloro-6-ethyl-2-(2-methylpyrimidin-4-yl)pyrimidine
CID 115527526
2-(2,4-dimethylphenyl)-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66297158
5-bromo-4-chloro-6-ethyl-2-[2-(methoxymethyl)phenyl]pyrimidine
CID 66314007
5-bromo-2-(4-bromo-2-methylphenyl)-N,6-diethylpyrimidin-4-amine
CID 103083799
4-chloro-2-(2,4-dimethylphenyl)quinazoline
CID 29293283
2-(4-bromo-2-methylphenyl)-4,6-dichloro-5-propylpyrimidine
CID 103083580

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(2,4-dimethylphenyl)-6-ethylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-(2,4-dimethylphenyl)-6-ethylpyrimidine (CID 66313232) is 5-bromo-4-chloro-2-(2,4-dimethylphenyl)-6-ethylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-(2,4-dimethylphenyl)-6-ethylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-(2,4-dimethylphenyl)-6-ethylpyrimidine is CCc1nc(-c2ccc(C)cc2C)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-2-(2,4-dimethylphenyl)-6-ethylpyrimidine?
The InChIKey is LOKJOXCEOCRZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2/c1-4-11-12(15)13(16)18-14(17-11)10-6-5-8(2)7-9(10)3/h5-7H,4H2,1-3H3.
What are the key properties of 5-bromo-4-chloro-2-(2,4-dimethylphenyl)-6-ethylpyrimidine?
5-bromo-4-chloro-2-(2,4-dimethylphenyl)-6-ethylpyrimidine has a molecular weight of 325.64 g/mol, XLogP of 4.74, 2 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-(2,4-dimethylphenyl)-6-ethylpyrimidine is sourced from PubChem (CID 66313232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).