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

C9H9BrClF3N2 — CID 66292341

IUPAC5-bromo-4-chloro-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidine
SMILESCCCc1nc(CC(F)(F)F)nc(Cl)c1Br
InChIInChI=1S/C9H9BrClF3N2/c1-2-3-5-7(10)8(11)16-6(15-5)4-9(12,13)14/h2-4H2,1H3
InChIKeyFMKFMSHYIAUJGJ-UHFFFAOYSA-N
MW317.54 g/mol
LogP3.95
Rot. Bonds3

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

5-bromo-4-chloro-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidine (PubChem CID 66292341) has the molecular formula C9H9BrClF3N2 and a molecular weight of 317.54 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidine
PubChem CID66292341
Molecular FormulaC9H9BrClF3N2
Molecular Weight317.54 g/mol
Exact Mass315.96
IUPAC Name5-bromo-4-chloro-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidine
SMILESCCCc1nc(CC(F)(F)F)nc(Cl)c1Br
InChIInChI=1S/C9H9BrClF3N2/c1-2-3-5-7(10)8(11)16-6(15-5)4-9(12,13)14/h2-4H2,1H3
InChIKeyFMKFMSHYIAUJGJ-UHFFFAOYSA-N
XLogP3.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.54
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Bromo-4-chloro-2,6-dimethylpyrimidine
CID 12490576
5-Bromo-4-chloro-6-ethylpyrimidine
CID 21252672
5-Bromo-4-chloro-2-ethyl-6-methylpyrimidine
CID 66292312
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
6-(1-Bromoethyl)-2,4-dichloro-5-fluoropyrimidine
CID 22323339
4-[(1S)-1-bromoethyl]-2,6-dichloro-5-fluoropyrimidine
CID 57171266
4-(2-Bromoethyl)-2,6-dichloro-5-fluoropyrimidine
CID 87603852
5-Bromo-4-chloro-6-(2-fluoropropyl)pyrimidine
CID 88260482
5-Bromo-4-chloro-2-methyl-6-(trifluoromethyl)pyrimidine
CID 92133687

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidine (CID 66292341) is 5-bromo-4-chloro-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidine is CCCc1nc(CC(F)(F)F)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidine?
The InChIKey is FMKFMSHYIAUJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClF3N2/c1-2-3-5-7(10)8(11)16-6(15-5)4-9(12,13)14/h2-4H2,1H3.
What are the key properties of 5-bromo-4-chloro-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidine?
5-bromo-4-chloro-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidine has a molecular weight of 317.54 g/mol, XLogP of 3.95, 3 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-propyl-2-(2,2,2-trifluoroethyl)pyrimidine is sourced from PubChem (CID 66292341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).