5-bromo-4-chloro-6-ethyl-2-(3,3,3-trifluoropropyl)pyrimidine

C9H9BrClF3N2 — CID 79954218

IUPAC5-bromo-4-chloro-6-ethyl-2-(3,3,3-trifluoropropyl)pyrimidine
SMILESCCc1nc(CCC(F)(F)F)nc(Cl)c1Br
InChIInChI=1S/C9H9BrClF3N2/c1-2-5-7(10)8(11)16-6(15-5)3-4-9(12,13)14/h2-4H2,1H3
InChIKeyDQNUGWYINULPBF-UHFFFAOYSA-N
MW317.54 g/mol
LogP3.95
Rot. Bonds3

About 5-bromo-4-chloro-6-ethyl-2-(3,3,3-trifluoropropyl)pyrimidine

5-bromo-4-chloro-6-ethyl-2-(3,3,3-trifluoropropyl)pyrimidine (PubChem CID 79954218) has the molecular formula C9H9BrClF3N2 and a molecular weight of 317.54 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-ethyl-2-(3,3,3-trifluoropropyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-ethyl-2-(3,3,3-trifluoropropyl)pyrimidine
PubChem CID79954218
Molecular FormulaC9H9BrClF3N2
Molecular Weight317.54 g/mol
Exact Mass315.96
IUPAC Name5-bromo-4-chloro-6-ethyl-2-(3,3,3-trifluoropropyl)pyrimidine
SMILESCCc1nc(CCC(F)(F)F)nc(Cl)c1Br
InChIInChI=1S/C9H9BrClF3N2/c1-2-5-7(10)8(11)16-6(15-5)3-4-9(12,13)14/h2-4H2,1H3
InChIKeyDQNUGWYINULPBF-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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-ethyl-2-(3,3,3-trifluoropropyl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-ethyl-2-(3,3,3-trifluoropropyl)pyrimidine (CID 79954218) is 5-bromo-4-chloro-6-ethyl-2-(3,3,3-trifluoropropyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-ethyl-2-(3,3,3-trifluoropropyl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-ethyl-2-(3,3,3-trifluoropropyl)pyrimidine is CCc1nc(CCC(F)(F)F)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-ethyl-2-(3,3,3-trifluoropropyl)pyrimidine?
The InChIKey is DQNUGWYINULPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClF3N2/c1-2-5-7(10)8(11)16-6(15-5)3-4-9(12,13)14/h2-4H2,1H3.
What are the key properties of 5-bromo-4-chloro-6-ethyl-2-(3,3,3-trifluoropropyl)pyrimidine?
5-bromo-4-chloro-6-ethyl-2-(3,3,3-trifluoropropyl)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-ethyl-2-(3,3,3-trifluoropropyl)pyrimidine is sourced from PubChem (CID 79954218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).