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

C10H10BrClF4N2O — CID 103473577

IUPAC5-bromo-4-chloro-6-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
SMILESCCc1nc(COCC(F)(F)C(F)F)nc(Cl)c1Br
InChIInChI=1S/C10H10BrClF4N2O/c1-2-5-7(11)8(12)18-6(17-5)3-19-4-10(15,16)9(13)14/h9H,2-4H2,1H3
InChIKeyCGNRGOUCAGUHFA-UHFFFAOYSA-N
MW365.55 g/mol
LogP3.87
Rot. Bonds6

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

5-bromo-4-chloro-6-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine (PubChem CID 103473577) has the molecular formula C10H10BrClF4N2O and a molecular weight of 365.55 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
PubChem CID103473577
Molecular FormulaC10H10BrClF4N2O
Molecular Weight365.55 g/mol
Exact Mass363.96
IUPAC Name5-bromo-4-chloro-6-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
SMILESCCc1nc(COCC(F)(F)C(F)F)nc(Cl)c1Br
InChIInChI=1S/C10H10BrClF4N2O/c1-2-5-7(11)8(12)18-6(17-5)3-19-4-10(15,16)9(13)14/h9H,2-4H2,1H3
InChIKeyCGNRGOUCAGUHFA-UHFFFAOYSA-N
XLogP3.87
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.55
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine (CID 103473577) is 5-bromo-4-chloro-6-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine is CCc1nc(COCC(F)(F)C(F)F)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine?
The InChIKey is CGNRGOUCAGUHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClF4N2O/c1-2-5-7(11)8(12)18-6(17-5)3-19-4-10(15,16)9(13)14/h9H,2-4H2,1H3.
What are the key properties of 5-bromo-4-chloro-6-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine?
5-bromo-4-chloro-6-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine has a molecular weight of 365.55 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine is sourced from PubChem (CID 103473577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).