2-[4-bromo-2-(trifluoromethyl)phenyl]-4,6-dichloro-5-ethylpyrimidine

C13H8BrCl2F3N2 — CID 63611310

IUPAC2-[4-bromo-2-(trifluoromethyl)phenyl]-4,6-dichloro-5-ethylpyrimidine
SMILESCCc1c(Cl)nc(-c2ccc(Br)cc2C(F)(F)F)nc1Cl
InChIInChI=1S/C13H8BrCl2F3N2/c1-2-7-10(15)20-12(21-11(7)16)8-4-3-6(14)5-9(8)13(17,18)19/h3-5H,2H2,1H3
InChIKeyPLERKEHKLPZIBD-UHFFFAOYSA-N
MW400.03 g/mol
LogP5.79
Rot. Bonds2

About 2-[4-bromo-2-(trifluoromethyl)phenyl]-4,6-dichloro-5-ethylpyrimidine

2-[4-bromo-2-(trifluoromethyl)phenyl]-4,6-dichloro-5-ethylpyrimidine (PubChem CID 63611310) has the molecular formula C13H8BrCl2F3N2 and a molecular weight of 400.03 g/mol. Its IUPAC name is 2-[4-bromo-2-(trifluoromethyl)phenyl]-4,6-dichloro-5-ethylpyrimidine.

Molecular Properties

Compound Name2-[4-bromo-2-(trifluoromethyl)phenyl]-4,6-dichloro-5-ethylpyrimidine
PubChem CID63611310
Molecular FormulaC13H8BrCl2F3N2
Molecular Weight400.03 g/mol
Exact Mass397.92
IUPAC Name2-[4-bromo-2-(trifluoromethyl)phenyl]-4,6-dichloro-5-ethylpyrimidine
SMILESCCc1c(Cl)nc(-c2ccc(Br)cc2C(F)(F)F)nc1Cl
InChIInChI=1S/C13H8BrCl2F3N2/c1-2-7-10(15)20-12(21-11(7)16)8-4-3-6(14)5-9(8)13(17,18)19/h3-5H,2H2,1H3
InChIKeyPLERKEHKLPZIBD-UHFFFAOYSA-N
XLogP5.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.03
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-ethylpyrimidine
CID 63613498
4-[4-bromo-2-(trifluoromethyl)phenyl]-6-methyl-1,3,5-triazin-2-amine
CID 63868448
1-[2-[4-bromo-2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-N-methylmethanamine
CID 62749509
2-[4-bromo-2-(trifluoromethyl)phenyl]-6-propylpyrimidin-4-amine
CID 63486444
2-(4-bromo-2-methylphenyl)-4,6-dichloro-5-propylpyrimidine
CID 103083580
4-[4-bromo-2-(trifluoromethyl)phenyl]-6-propan-2-yl-1,3,5-triazin-2-amine
CID 63867894
2-[4-bromo-2-(trifluoromethyl)phenyl]-4-(chloromethyl)pyrimidine
CID 62746869
2-[4-bromo-2-(trifluoromethyl)phenyl]-6-methylpyrimidine-4-carboxylic acid
CID 62746772
(1R)-1-[3-[4-bromo-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899765
3-[4-bromo-2-(trifluoromethyl)phenyl]-N-tert-butyl-1,2,4-oxadiazol-5-amine
CID 63511106
2-[4-bromo-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62689493
N-[[3-[4-bromo-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 62690854

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(trifluoromethyl)phenyl]-4,6-dichloro-5-ethylpyrimidine?
The IUPAC name of 2-[4-bromo-2-(trifluoromethyl)phenyl]-4,6-dichloro-5-ethylpyrimidine (CID 63611310) is 2-[4-bromo-2-(trifluoromethyl)phenyl]-4,6-dichloro-5-ethylpyrimidine.
What is the SMILES notation for 2-[4-bromo-2-(trifluoromethyl)phenyl]-4,6-dichloro-5-ethylpyrimidine?
The canonical SMILES for 2-[4-bromo-2-(trifluoromethyl)phenyl]-4,6-dichloro-5-ethylpyrimidine is CCc1c(Cl)nc(-c2ccc(Br)cc2C(F)(F)F)nc1Cl.
What is the InChIKey of 2-[4-bromo-2-(trifluoromethyl)phenyl]-4,6-dichloro-5-ethylpyrimidine?
The InChIKey is PLERKEHKLPZIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl2F3N2/c1-2-7-10(15)20-12(21-11(7)16)8-4-3-6(14)5-9(8)13(17,18)19/h3-5H,2H2,1H3.
What are the key properties of 2-[4-bromo-2-(trifluoromethyl)phenyl]-4,6-dichloro-5-ethylpyrimidine?
2-[4-bromo-2-(trifluoromethyl)phenyl]-4,6-dichloro-5-ethylpyrimidine has a molecular weight of 400.03 g/mol, XLogP of 5.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(trifluoromethyl)phenyl]-4,6-dichloro-5-ethylpyrimidine is sourced from PubChem (CID 63611310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).