4-bromo-2-tert-butyl-6-(4,4-dimethylcyclohexyl)oxypyrimidine

C16H25BrN2O — CID 114340982

IUPAC4-bromo-2-tert-butyl-6-(4,4-dimethylcyclohexyl)oxypyrimidine
SMILESCC1(C)CCC(Oc2cc(Br)nc(C(C)(C)C)n2)CC1
InChIInChI=1S/C16H25BrN2O/c1-15(2,3)14-18-12(17)10-13(19-14)20-11-6-8-16(4,5)9-7-11/h10-11H,6-9H2,1-5H3
InChIKeyUDJQZDRHNFELFJ-UHFFFAOYSA-N
MW341.29 g/mol
LogP4.88
Rot. Bonds2

About 4-bromo-2-tert-butyl-6-(4,4-dimethylcyclohexyl)oxypyrimidine

4-bromo-2-tert-butyl-6-(4,4-dimethylcyclohexyl)oxypyrimidine (PubChem CID 114340982) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 4-bromo-2-tert-butyl-6-(4,4-dimethylcyclohexyl)oxypyrimidine.

Molecular Properties

Compound Name4-bromo-2-tert-butyl-6-(4,4-dimethylcyclohexyl)oxypyrimidine
PubChem CID114340982
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name4-bromo-2-tert-butyl-6-(4,4-dimethylcyclohexyl)oxypyrimidine
SMILESCC1(C)CCC(Oc2cc(Br)nc(C(C)(C)C)n2)CC1
InChIInChI=1S/C16H25BrN2O/c1-15(2,3)14-18-12(17)10-13(19-14)20-11-6-8-16(4,5)9-7-11/h10-11H,6-9H2,1-5H3
InChIKeyUDJQZDRHNFELFJ-UHFFFAOYSA-N
XLogP4.88
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-tert-butyl-6-(4,4-dimethylcyclohexyl)oxypyrimidine?
The IUPAC name of 4-bromo-2-tert-butyl-6-(4,4-dimethylcyclohexyl)oxypyrimidine (CID 114340982) is 4-bromo-2-tert-butyl-6-(4,4-dimethylcyclohexyl)oxypyrimidine.
What is the SMILES notation for 4-bromo-2-tert-butyl-6-(4,4-dimethylcyclohexyl)oxypyrimidine?
The canonical SMILES for 4-bromo-2-tert-butyl-6-(4,4-dimethylcyclohexyl)oxypyrimidine is CC1(C)CCC(Oc2cc(Br)nc(C(C)(C)C)n2)CC1.
What is the InChIKey of 4-bromo-2-tert-butyl-6-(4,4-dimethylcyclohexyl)oxypyrimidine?
The InChIKey is UDJQZDRHNFELFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-15(2,3)14-18-12(17)10-13(19-14)20-11-6-8-16(4,5)9-7-11/h10-11H,6-9H2,1-5H3.
What are the key properties of 4-bromo-2-tert-butyl-6-(4,4-dimethylcyclohexyl)oxypyrimidine?
4-bromo-2-tert-butyl-6-(4,4-dimethylcyclohexyl)oxypyrimidine has a molecular weight of 341.29 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-tert-butyl-6-(4,4-dimethylcyclohexyl)oxypyrimidine is sourced from PubChem (CID 114340982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).