5-bromo-4-chloro-6-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidine

C14H9BrClF3N2 — CID 66311908

IUPAC5-bromo-4-chloro-6-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidine
SMILESFC(F)(F)c1ccc(-c2nc(Cl)c(Br)c(C3CC3)n2)cc1
InChIInChI=1S/C14H9BrClF3N2/c15-10-11(7-1-2-7)20-13(21-12(10)16)8-3-5-9(6-4-8)14(17,18)19/h3-7H,1-2H2
InChIKeyZNCZUAKTZRBKDJ-UHFFFAOYSA-N
MW377.59 g/mol
LogP5.46
Rot. Bonds2

About 5-bromo-4-chloro-6-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidine

5-bromo-4-chloro-6-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 66311908) has the molecular formula C14H9BrClF3N2 and a molecular weight of 377.59 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidine
PubChem CID66311908
Molecular FormulaC14H9BrClF3N2
Molecular Weight377.59 g/mol
Exact Mass375.96
IUPAC Name5-bromo-4-chloro-6-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidine
SMILESFC(F)(F)c1ccc(-c2nc(Cl)c(Br)c(C3CC3)n2)cc1
InChIInChI=1S/C14H9BrClF3N2/c15-10-11(7-1-2-7)20-13(21-12(10)16)8-3-5-9(6-4-8)14(17,18)19/h3-7H,1-2H2
InChIKeyZNCZUAKTZRBKDJ-UHFFFAOYSA-N
XLogP5.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.59
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidine (CID 66311908) is 5-bromo-4-chloro-6-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidine is FC(F)(F)c1ccc(-c2nc(Cl)c(Br)c(C3CC3)n2)cc1.
What is the InChIKey of 5-bromo-4-chloro-6-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is ZNCZUAKTZRBKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClF3N2/c15-10-11(7-1-2-7)20-13(21-12(10)16)8-3-5-9(6-4-8)14(17,18)19/h3-7H,1-2H2.
What are the key properties of 5-bromo-4-chloro-6-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidine?
5-bromo-4-chloro-6-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 377.59 g/mol, XLogP of 5.46, 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-6-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 66311908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).