4-(3-bromo-5-fluorophenoxy)-2-tert-butyl-6-chloro-5-methylpyrimidine

C15H15BrClFN2O — CID 81314867

IUPAC4-(3-bromo-5-fluorophenoxy)-2-tert-butyl-6-chloro-5-methylpyrimidine
SMILESCc1c(Cl)nc(C(C)(C)C)nc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C15H15BrClFN2O/c1-8-12(17)19-14(15(2,3)4)20-13(8)21-11-6-9(16)5-10(18)7-11/h5-7H,1-4H3
InChIKeyUVYQLGNZEJBBKT-UHFFFAOYSA-N
MW373.65 g/mol
LogP5.43
Rot. Bonds2

About 4-(3-bromo-5-fluorophenoxy)-2-tert-butyl-6-chloro-5-methylpyrimidine

4-(3-bromo-5-fluorophenoxy)-2-tert-butyl-6-chloro-5-methylpyrimidine (PubChem CID 81314867) has the molecular formula C15H15BrClFN2O and a molecular weight of 373.65 g/mol. Its IUPAC name is 4-(3-bromo-5-fluorophenoxy)-2-tert-butyl-6-chloro-5-methylpyrimidine.

Molecular Properties

Compound Name4-(3-bromo-5-fluorophenoxy)-2-tert-butyl-6-chloro-5-methylpyrimidine
PubChem CID81314867
Molecular FormulaC15H15BrClFN2O
Molecular Weight373.65 g/mol
Exact Mass372.00
IUPAC Name4-(3-bromo-5-fluorophenoxy)-2-tert-butyl-6-chloro-5-methylpyrimidine
SMILESCc1c(Cl)nc(C(C)(C)C)nc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C15H15BrClFN2O/c1-8-12(17)19-14(15(2,3)4)20-13(8)21-11-6-9(16)5-10(18)7-11/h5-7H,1-4H3
InChIKeyUVYQLGNZEJBBKT-UHFFFAOYSA-N
XLogP5.43
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.65
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-fluorophenoxy)-2-tert-butyl-6-chloro-5-methylpyrimidine?
The IUPAC name of 4-(3-bromo-5-fluorophenoxy)-2-tert-butyl-6-chloro-5-methylpyrimidine (CID 81314867) is 4-(3-bromo-5-fluorophenoxy)-2-tert-butyl-6-chloro-5-methylpyrimidine.
What is the SMILES notation for 4-(3-bromo-5-fluorophenoxy)-2-tert-butyl-6-chloro-5-methylpyrimidine?
The canonical SMILES for 4-(3-bromo-5-fluorophenoxy)-2-tert-butyl-6-chloro-5-methylpyrimidine is Cc1c(Cl)nc(C(C)(C)C)nc1Oc1cc(F)cc(Br)c1.
What is the InChIKey of 4-(3-bromo-5-fluorophenoxy)-2-tert-butyl-6-chloro-5-methylpyrimidine?
The InChIKey is UVYQLGNZEJBBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClFN2O/c1-8-12(17)19-14(15(2,3)4)20-13(8)21-11-6-9(16)5-10(18)7-11/h5-7H,1-4H3.
What are the key properties of 4-(3-bromo-5-fluorophenoxy)-2-tert-butyl-6-chloro-5-methylpyrimidine?
4-(3-bromo-5-fluorophenoxy)-2-tert-butyl-6-chloro-5-methylpyrimidine has a molecular weight of 373.65 g/mol, XLogP of 5.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-5-fluorophenoxy)-2-tert-butyl-6-chloro-5-methylpyrimidine is sourced from PubChem (CID 81314867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).