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

C10H11BrClF3N2 — CID 66295024

IUPAC5-bromo-4-tert-butyl-6-chloro-2-(2,2,2-trifluoroethyl)pyrimidine
SMILESCC(C)(C)c1nc(CC(F)(F)F)nc(Cl)c1Br
InChIInChI=1S/C10H11BrClF3N2/c1-9(2,3)7-6(11)8(12)17-5(16-7)4-10(13,14)15/h4H2,1-3H3
InChIKeyRQAQCQDXXFVSDO-UHFFFAOYSA-N
MW331.56 g/mol
LogP4.29
Rot. Bonds1

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

5-bromo-4-tert-butyl-6-chloro-2-(2,2,2-trifluoroethyl)pyrimidine (PubChem CID 66295024) has the molecular formula C10H11BrClF3N2 and a molecular weight of 331.56 g/mol. Its IUPAC name is 5-bromo-4-tert-butyl-6-chloro-2-(2,2,2-trifluoroethyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-tert-butyl-6-chloro-2-(2,2,2-trifluoroethyl)pyrimidine
PubChem CID66295024
Molecular FormulaC10H11BrClF3N2
Molecular Weight331.56 g/mol
Exact Mass329.97
IUPAC Name5-bromo-4-tert-butyl-6-chloro-2-(2,2,2-trifluoroethyl)pyrimidine
SMILESCC(C)(C)c1nc(CC(F)(F)F)nc(Cl)c1Br
InChIInChI=1S/C10H11BrClF3N2/c1-9(2,3)7-6(11)8(12)17-5(16-7)4-10(13,14)15/h4H2,1-3H3
InChIKeyRQAQCQDXXFVSDO-UHFFFAOYSA-N
XLogP4.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.56
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Bromo-4-chloro-6-(propan-2-yl)pyrimidine
CID 24903876
5-Bromo-4-chloro-6-(1-fluoroethyl)pyrimidine
CID 11622821
5-Butyl-4-chloro-6-methyl-2-(trifluoromethyl)pyrimidine
CID 15232881
4-Chloro-6-methyl-5-propyl-2-(trifluoromethyl)pyrimidine
CID 15232882
4-Chloro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)pyrimidine
CID 15312428
5-Bromo-4-chloro-6-(2-fluoropropan-2-yl)pyrimidine
CID 54427541
5-Bromo-4-chloro-2-methyl-6-(trifluoromethyl)pyrimidine
CID 92133687
5-Bromo-4-chloro-6-(difluoromethyl)-2-methylpyrimidine
CID 97627647
5-Bromo-4,6-di(propan-2-yl)-2-(trifluoromethyl)pyrimidine
CID 137459069
5-Bromo-4-tert-butyl-2-fluoro-6-methylpyrimidine
CID 147348867
5-Bromo-4-tert-butyl-6-fluoro-2-methylpyrimidine
CID 147446332
5-Bromo-4-tert-butyl-2-cyclopropyl-6-fluoropyrimidine
CID 147475997

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-tert-butyl-6-chloro-2-(2,2,2-trifluoroethyl)pyrimidine?
The IUPAC name of 5-bromo-4-tert-butyl-6-chloro-2-(2,2,2-trifluoroethyl)pyrimidine (CID 66295024) is 5-bromo-4-tert-butyl-6-chloro-2-(2,2,2-trifluoroethyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-tert-butyl-6-chloro-2-(2,2,2-trifluoroethyl)pyrimidine?
The canonical SMILES for 5-bromo-4-tert-butyl-6-chloro-2-(2,2,2-trifluoroethyl)pyrimidine is CC(C)(C)c1nc(CC(F)(F)F)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-tert-butyl-6-chloro-2-(2,2,2-trifluoroethyl)pyrimidine?
The InChIKey is RQAQCQDXXFVSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClF3N2/c1-9(2,3)7-6(11)8(12)17-5(16-7)4-10(13,14)15/h4H2,1-3H3.
What are the key properties of 5-bromo-4-tert-butyl-6-chloro-2-(2,2,2-trifluoroethyl)pyrimidine?
5-bromo-4-tert-butyl-6-chloro-2-(2,2,2-trifluoroethyl)pyrimidine has a molecular weight of 331.56 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-tert-butyl-6-chloro-2-(2,2,2-trifluoroethyl)pyrimidine is sourced from PubChem (CID 66295024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).