5-bromo-4-chloro-6-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine

C11H13BrClF3N2O — CID 103146725

IUPAC5-bromo-4-chloro-6-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine
SMILESCC(C)c1nc(CCOCC(F)(F)F)nc(Cl)c1Br
InChIInChI=1S/C11H13BrClF3N2O/c1-6(2)9-8(12)10(13)18-7(17-9)3-4-19-5-11(14,15)16/h6H,3-5H2,1-2H3
InChIKeyJZDFBSOYRCDPFX-UHFFFAOYSA-N
MW361.59 g/mol
LogP4.14
Rot. Bonds5

About 5-bromo-4-chloro-6-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine

5-bromo-4-chloro-6-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine (PubChem CID 103146725) has the molecular formula C11H13BrClF3N2O and a molecular weight of 361.59 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine
PubChem CID103146725
Molecular FormulaC11H13BrClF3N2O
Molecular Weight361.59 g/mol
Exact Mass359.99
IUPAC Name5-bromo-4-chloro-6-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine
SMILESCC(C)c1nc(CCOCC(F)(F)F)nc(Cl)c1Br
InChIInChI=1S/C11H13BrClF3N2O/c1-6(2)9-8(12)10(13)18-7(17-9)3-4-19-5-11(14,15)16/h6H,3-5H2,1-2H3
InChIKeyJZDFBSOYRCDPFX-UHFFFAOYSA-N
XLogP4.14
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.59
LogP ≤ 54.14
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-chloro-6-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine (CID 103146725) is 5-bromo-4-chloro-6-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine is CC(C)c1nc(CCOCC(F)(F)F)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine?
The InChIKey is JZDFBSOYRCDPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClF3N2O/c1-6(2)9-8(12)10(13)18-7(17-9)3-4-19-5-11(14,15)16/h6H,3-5H2,1-2H3.
What are the key properties of 5-bromo-4-chloro-6-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine?
5-bromo-4-chloro-6-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine has a molecular weight of 361.59 g/mol, XLogP of 4.14, 5 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-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine is sourced from PubChem (CID 103146725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).