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

C11H10BrClF4N2O — CID 103473590

IUPAC5-bromo-4-chloro-6-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
SMILESFC(F)C(F)(F)COCc1nc(Cl)c(Br)c(C2CC2)n1
InChIInChI=1S/C11H10BrClF4N2O/c12-7-8(5-1-2-5)18-6(19-9(7)13)3-20-4-11(16,17)10(14)15/h5,10H,1-4H2
InChIKeyQWLAIRUKDIPPIZ-UHFFFAOYSA-N
MW377.56 g/mol
LogP4.19
Rot. Bonds6

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

5-bromo-4-chloro-6-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine (PubChem CID 103473590) has the molecular formula C11H10BrClF4N2O and a molecular weight of 377.56 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
PubChem CID103473590
Molecular FormulaC11H10BrClF4N2O
Molecular Weight377.56 g/mol
Exact Mass375.96
IUPAC Name5-bromo-4-chloro-6-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
SMILESFC(F)C(F)(F)COCc1nc(Cl)c(Br)c(C2CC2)n1
InChIInChI=1S/C11H10BrClF4N2O/c12-7-8(5-1-2-5)18-6(19-9(7)13)3-20-4-11(16,17)10(14)15/h5,10H,1-4H2
InChIKeyQWLAIRUKDIPPIZ-UHFFFAOYSA-N
XLogP4.19
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.56
LogP ≤ 54.19
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-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine (CID 103473590) is 5-bromo-4-chloro-6-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine is FC(F)C(F)(F)COCc1nc(Cl)c(Br)c(C2CC2)n1.
What is the InChIKey of 5-bromo-4-chloro-6-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine?
The InChIKey is QWLAIRUKDIPPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClF4N2O/c12-7-8(5-1-2-5)18-6(19-9(7)13)3-20-4-11(16,17)10(14)15/h5,10H,1-4H2.
What are the key properties of 5-bromo-4-chloro-6-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine?
5-bromo-4-chloro-6-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine has a molecular weight of 377.56 g/mol, XLogP of 4.19, 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-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine is sourced from PubChem (CID 103473590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).