5-bromo-4-tert-butyl-6-chloro-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine

C12H16BrClF2N2O — CID 103146719

IUPAC5-bromo-4-tert-butyl-6-chloro-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine
SMILESCC(C)(C)c1nc(CCOCC(F)F)nc(Cl)c1Br
InChIInChI=1S/C12H16BrClF2N2O/c1-12(2,3)10-9(13)11(14)18-8(17-10)4-5-19-6-7(15)16/h7H,4-6H2,1-3H3
InChIKeyPOPFZCYXZJNNEW-UHFFFAOYSA-N
MW357.63 g/mol
LogP4.01
Rot. Bonds5

About 5-bromo-4-tert-butyl-6-chloro-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine

5-bromo-4-tert-butyl-6-chloro-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine (PubChem CID 103146719) has the molecular formula C12H16BrClF2N2O and a molecular weight of 357.63 g/mol. Its IUPAC name is 5-bromo-4-tert-butyl-6-chloro-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine.

Molecular Properties

Compound Name5-bromo-4-tert-butyl-6-chloro-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine
PubChem CID103146719
Molecular FormulaC12H16BrClF2N2O
Molecular Weight357.63 g/mol
Exact Mass356.01
IUPAC Name5-bromo-4-tert-butyl-6-chloro-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine
SMILESCC(C)(C)c1nc(CCOCC(F)F)nc(Cl)c1Br
InChIInChI=1S/C12H16BrClF2N2O/c1-12(2,3)10-9(13)11(14)18-8(17-10)4-5-19-6-7(15)16/h7H,4-6H2,1-3H3
InChIKeyPOPFZCYXZJNNEW-UHFFFAOYSA-N
XLogP4.01
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.63
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-tert-butyl-6-chloro-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine?
The IUPAC name of 5-bromo-4-tert-butyl-6-chloro-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine (CID 103146719) is 5-bromo-4-tert-butyl-6-chloro-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine.
What is the SMILES notation for 5-bromo-4-tert-butyl-6-chloro-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine?
The canonical SMILES for 5-bromo-4-tert-butyl-6-chloro-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine is CC(C)(C)c1nc(CCOCC(F)F)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-tert-butyl-6-chloro-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine?
The InChIKey is POPFZCYXZJNNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClF2N2O/c1-12(2,3)10-9(13)11(14)18-8(17-10)4-5-19-6-7(15)16/h7H,4-6H2,1-3H3.
What are the key properties of 5-bromo-4-tert-butyl-6-chloro-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine?
5-bromo-4-tert-butyl-6-chloro-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine has a molecular weight of 357.63 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-tert-butyl-6-chloro-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine is sourced from PubChem (CID 103146719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).