5-bromo-4-chloro-6-cyclopropyl-2-(2,2,2-trifluoroethyl)pyrimidine

C9H7BrClF3N2 — CID 66292864

IUPAC5-bromo-4-chloro-6-cyclopropyl-2-(2,2,2-trifluoroethyl)pyrimidine
SMILESFC(F)(F)Cc1nc(Cl)c(Br)c(C2CC2)n1
InChIInChI=1S/C9H7BrClF3N2/c10-6-7(4-1-2-4)15-5(16-8(6)11)3-9(12,13)14/h4H,1-3H2
InChIKeyQHUYJXZKEFOQHB-UHFFFAOYSA-N
MW315.52 g/mol
LogP3.87
Rot. Bonds2

About 5-bromo-4-chloro-6-cyclopropyl-2-(2,2,2-trifluoroethyl)pyrimidine

5-bromo-4-chloro-6-cyclopropyl-2-(2,2,2-trifluoroethyl)pyrimidine (PubChem CID 66292864) has the molecular formula C9H7BrClF3N2 and a molecular weight of 315.52 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-cyclopropyl-2-(2,2,2-trifluoroethyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-cyclopropyl-2-(2,2,2-trifluoroethyl)pyrimidine
PubChem CID66292864
Molecular FormulaC9H7BrClF3N2
Molecular Weight315.52 g/mol
Exact Mass313.94
IUPAC Name5-bromo-4-chloro-6-cyclopropyl-2-(2,2,2-trifluoroethyl)pyrimidine
SMILESFC(F)(F)Cc1nc(Cl)c(Br)c(C2CC2)n1
InChIInChI=1S/C9H7BrClF3N2/c10-6-7(4-1-2-4)15-5(16-8(6)11)3-9(12,13)14/h4H,1-3H2
InChIKeyQHUYJXZKEFOQHB-UHFFFAOYSA-N
XLogP3.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.52
LogP ≤ 53.87
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-(2,2,2-trifluoroethyl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-cyclopropyl-2-(2,2,2-trifluoroethyl)pyrimidine (CID 66292864) is 5-bromo-4-chloro-6-cyclopropyl-2-(2,2,2-trifluoroethyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-cyclopropyl-2-(2,2,2-trifluoroethyl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-cyclopropyl-2-(2,2,2-trifluoroethyl)pyrimidine is FC(F)(F)Cc1nc(Cl)c(Br)c(C2CC2)n1.
What is the InChIKey of 5-bromo-4-chloro-6-cyclopropyl-2-(2,2,2-trifluoroethyl)pyrimidine?
The InChIKey is QHUYJXZKEFOQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClF3N2/c10-6-7(4-1-2-4)15-5(16-8(6)11)3-9(12,13)14/h4H,1-3H2.
What are the key properties of 5-bromo-4-chloro-6-cyclopropyl-2-(2,2,2-trifluoroethyl)pyrimidine?
5-bromo-4-chloro-6-cyclopropyl-2-(2,2,2-trifluoroethyl)pyrimidine has a molecular weight of 315.52 g/mol, XLogP of 3.87, 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-(2,2,2-trifluoroethyl)pyrimidine is sourced from PubChem (CID 66292864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).