5-bromo-4-tert-butyl-6-chloro-2-(2-chlorophenyl)pyrimidine

C14H13BrCl2N2 — CID 66292356

IUPAC5-bromo-4-tert-butyl-6-chloro-2-(2-chlorophenyl)pyrimidine
SMILESCC(C)(C)c1nc(-c2ccccc2Cl)nc(Cl)c1Br
InChIInChI=1S/C14H13BrCl2N2/c1-14(2,3)11-10(15)12(17)19-13(18-11)8-6-4-5-7-9(8)16/h4-7H,1-3H3
InChIKeyXJZNEIFGIPEKFL-UHFFFAOYSA-N
MW360.08 g/mol
LogP5.51
Rot. Bonds1

About 5-bromo-4-tert-butyl-6-chloro-2-(2-chlorophenyl)pyrimidine

5-bromo-4-tert-butyl-6-chloro-2-(2-chlorophenyl)pyrimidine (PubChem CID 66292356) has the molecular formula C14H13BrCl2N2 and a molecular weight of 360.08 g/mol. Its IUPAC name is 5-bromo-4-tert-butyl-6-chloro-2-(2-chlorophenyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-tert-butyl-6-chloro-2-(2-chlorophenyl)pyrimidine
PubChem CID66292356
Molecular FormulaC14H13BrCl2N2
Molecular Weight360.08 g/mol
Exact Mass357.96
IUPAC Name5-bromo-4-tert-butyl-6-chloro-2-(2-chlorophenyl)pyrimidine
SMILESCC(C)(C)c1nc(-c2ccccc2Cl)nc(Cl)c1Br
InChIInChI=1S/C14H13BrCl2N2/c1-14(2,3)11-10(15)12(17)19-13(18-11)8-6-4-5-7-9(8)16/h4-7H,1-3H3
InChIKeyXJZNEIFGIPEKFL-UHFFFAOYSA-N
XLogP5.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.08
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-tert-butyl-6-chloro-2-(2-chlorophenyl)pyrimidine?
The IUPAC name of 5-bromo-4-tert-butyl-6-chloro-2-(2-chlorophenyl)pyrimidine (CID 66292356) is 5-bromo-4-tert-butyl-6-chloro-2-(2-chlorophenyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-tert-butyl-6-chloro-2-(2-chlorophenyl)pyrimidine?
The canonical SMILES for 5-bromo-4-tert-butyl-6-chloro-2-(2-chlorophenyl)pyrimidine is CC(C)(C)c1nc(-c2ccccc2Cl)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-tert-butyl-6-chloro-2-(2-chlorophenyl)pyrimidine?
The InChIKey is XJZNEIFGIPEKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrCl2N2/c1-14(2,3)11-10(15)12(17)19-13(18-11)8-6-4-5-7-9(8)16/h4-7H,1-3H3.
What are the key properties of 5-bromo-4-tert-butyl-6-chloro-2-(2-chlorophenyl)pyrimidine?
5-bromo-4-tert-butyl-6-chloro-2-(2-chlorophenyl)pyrimidine has a molecular weight of 360.08 g/mol, XLogP of 5.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-tert-butyl-6-chloro-2-(2-chlorophenyl)pyrimidine is sourced from PubChem (CID 66292356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).