5-bromo-4-methyl-6-propan-2-ylpyrimidine

C8H11BrN2 — CID 118440738

IUPAC5-bromo-4-methyl-6-propan-2-ylpyrimidine
SMILESCc1ncnc(C(C)C)c1Br
InChIInChI=1S/C8H11BrN2/c1-5(2)8-7(9)6(3)10-4-11-8/h4-5H,1-3H3
InChIKeyVRXMLCYMNKDBNW-UHFFFAOYSA-N
MW215.09 g/mol
LogP2.67
Rot. Bonds1

About 5-bromo-4-methyl-6-propan-2-ylpyrimidine

5-bromo-4-methyl-6-propan-2-ylpyrimidine (PubChem CID 118440738) has the molecular formula C8H11BrN2 and a molecular weight of 215.09 g/mol. Its IUPAC name is 5-bromo-4-methyl-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-methyl-6-propan-2-ylpyrimidine
PubChem CID118440738
Molecular FormulaC8H11BrN2
Molecular Weight215.09 g/mol
Exact Mass214.01
IUPAC Name5-bromo-4-methyl-6-propan-2-ylpyrimidine
SMILESCc1ncnc(C(C)C)c1Br
InChIInChI=1S/C8H11BrN2/c1-5(2)8-7(9)6(3)10-4-11-8/h4-5H,1-3H3
InChIKeyVRXMLCYMNKDBNW-UHFFFAOYSA-N
XLogP2.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-6-propan-2-ylpyrimidine?
The IUPAC name of 5-bromo-4-methyl-6-propan-2-ylpyrimidine (CID 118440738) is 5-bromo-4-methyl-6-propan-2-ylpyrimidine.
What is the SMILES notation for 5-bromo-4-methyl-6-propan-2-ylpyrimidine?
The canonical SMILES for 5-bromo-4-methyl-6-propan-2-ylpyrimidine is Cc1ncnc(C(C)C)c1Br.
What is the InChIKey of 5-bromo-4-methyl-6-propan-2-ylpyrimidine?
The InChIKey is VRXMLCYMNKDBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2/c1-5(2)8-7(9)6(3)10-4-11-8/h4-5H,1-3H3.
What are the key properties of 5-bromo-4-methyl-6-propan-2-ylpyrimidine?
5-bromo-4-methyl-6-propan-2-ylpyrimidine has a molecular weight of 215.09 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-6-propan-2-ylpyrimidine is sourced from PubChem (CID 118440738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).