5-bromo-4-methyl-2-propan-2-yloxypyrimidine

C8H11BrN2O — CID 115038055

IUPAC5-bromo-4-methyl-2-propan-2-yloxypyrimidine
SMILESCc1nc(OC(C)C)ncc1Br
InChIInChI=1S/C8H11BrN2O/c1-5(2)12-8-10-4-7(9)6(3)11-8/h4-5H,1-3H3
InChIKeyVAWAMISTAORKHR-UHFFFAOYSA-N
MW231.09 g/mol
LogP2.33
Rot. Bonds2

About 5-bromo-4-methyl-2-propan-2-yloxypyrimidine

5-bromo-4-methyl-2-propan-2-yloxypyrimidine (PubChem CID 115038055) has the molecular formula C8H11BrN2O and a molecular weight of 231.09 g/mol. Its IUPAC name is 5-bromo-4-methyl-2-propan-2-yloxypyrimidine.

Molecular Properties

Compound Name5-bromo-4-methyl-2-propan-2-yloxypyrimidine
PubChem CID115038055
Molecular FormulaC8H11BrN2O
Molecular Weight231.09 g/mol
Exact Mass230.01
IUPAC Name5-bromo-4-methyl-2-propan-2-yloxypyrimidine
SMILESCc1nc(OC(C)C)ncc1Br
InChIInChI=1S/C8H11BrN2O/c1-5(2)12-8-10-4-7(9)6(3)11-8/h4-5H,1-3H3
InChIKeyVAWAMISTAORKHR-UHFFFAOYSA-N
XLogP2.33
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-4-methyl-2-propan-2-yloxypyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-2-propan-2-yloxypyrimidine?
The IUPAC name of 5-bromo-4-methyl-2-propan-2-yloxypyrimidine (CID 115038055) is 5-bromo-4-methyl-2-propan-2-yloxypyrimidine.
What is the SMILES notation for 5-bromo-4-methyl-2-propan-2-yloxypyrimidine?
The canonical SMILES for 5-bromo-4-methyl-2-propan-2-yloxypyrimidine is Cc1nc(OC(C)C)ncc1Br.
What is the InChIKey of 5-bromo-4-methyl-2-propan-2-yloxypyrimidine?
The InChIKey is VAWAMISTAORKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O/c1-5(2)12-8-10-4-7(9)6(3)11-8/h4-5H,1-3H3.
What are the key properties of 5-bromo-4-methyl-2-propan-2-yloxypyrimidine?
5-bromo-4-methyl-2-propan-2-yloxypyrimidine has a molecular weight of 231.09 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-2-propan-2-yloxypyrimidine is sourced from PubChem (CID 115038055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).