5-bromo-2-(3-bromo-4-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine

C14H12Br2ClFN2 — CID 82809633

IUPAC5-bromo-2-(3-bromo-4-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine
SMILESCC(C)Cc1nc(-c2ccc(F)c(Br)c2)nc(Cl)c1Br
InChIInChI=1S/C14H12Br2ClFN2/c1-7(2)5-11-12(16)13(17)20-14(19-11)8-3-4-10(18)9(15)6-8/h3-4,6-7H,5H2,1-2H3
InChIKeyWYQSQNAPNJGASP-UHFFFAOYSA-N
MW422.52 g/mol
LogP5.66
Rot. Bonds3

About 5-bromo-2-(3-bromo-4-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine

5-bromo-2-(3-bromo-4-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine (PubChem CID 82809633) has the molecular formula C14H12Br2ClFN2 and a molecular weight of 422.52 g/mol. Its IUPAC name is 5-bromo-2-(3-bromo-4-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-(3-bromo-4-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine
PubChem CID82809633
Molecular FormulaC14H12Br2ClFN2
Molecular Weight422.52 g/mol
Exact Mass419.90
IUPAC Name5-bromo-2-(3-bromo-4-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine
SMILESCC(C)Cc1nc(-c2ccc(F)c(Br)c2)nc(Cl)c1Br
InChIInChI=1S/C14H12Br2ClFN2/c1-7(2)5-11-12(16)13(17)20-14(19-11)8-3-4-10(18)9(15)6-8/h3-4,6-7H,5H2,1-2H3
InChIKeyWYQSQNAPNJGASP-UHFFFAOYSA-N
XLogP5.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.52
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine
CID 115565778
5-bromo-4-chloro-2-(4-chloro-3-fluorophenyl)-6-propylpyrimidine
CID 66311269
2-(3-bromo-4-fluorophenyl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine
CID 82787744
5-bromo-2-(3-bromo-4-fluorophenyl)-4-chloropyrimidine
CID 82809152
2-(4-bromo-3-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine
CID 81436026
5-bromo-4-chloro-6-(2-methylpropyl)-2-(2-methylpyrazol-3-yl)pyrimidine
CID 114554010
5-bromo-4-chloro-6-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)pyrimidine
CID 115527549
2-(2-bromo-3,4-difluorophenyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine
CID 107537899
5-bromo-4-chloro-2-(6-methoxy-2-pyridinyl)-6-(2-methylpropyl)pyrimidine
CID 103347915
5-bromo-2-(3-bromo-4-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 82800970
2-[5-bromo-4-chloro-6-(2-methylpropyl)pyrimidin-2-yl]-5-chloro-1,3-thiazole
CID 107124723
3-(3-bromo-4-fluorophenyl)-5-(1-chloroethyl)-1,2,4-oxadiazole
CID 82797957

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-bromo-4-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine?
The IUPAC name of 5-bromo-2-(3-bromo-4-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine (CID 82809633) is 5-bromo-2-(3-bromo-4-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine.
What is the SMILES notation for 5-bromo-2-(3-bromo-4-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine?
The canonical SMILES for 5-bromo-2-(3-bromo-4-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine is CC(C)Cc1nc(-c2ccc(F)c(Br)c2)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-2-(3-bromo-4-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine?
The InChIKey is WYQSQNAPNJGASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2ClFN2/c1-7(2)5-11-12(16)13(17)20-14(19-11)8-3-4-10(18)9(15)6-8/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 5-bromo-2-(3-bromo-4-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine?
5-bromo-2-(3-bromo-4-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine has a molecular weight of 422.52 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-bromo-4-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine is sourced from PubChem (CID 82809633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).