5-bromo-4-propan-2-ylpyrimidine

C7H9BrN2 — CID 26370006

IUPAC5-bromo-4-propan-2-ylpyrimidine
SMILESCC(C)c1ncncc1Br
InChIInChI=1S/C7H9BrN2/c1-5(2)7-6(8)3-9-4-10-7/h3-5H,1-2H3
InChIKeyLQPQMMZNSQOAHG-UHFFFAOYSA-N
MW201.07 g/mol
LogP2.36
Rot. Bonds1

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

5-bromo-4-propan-2-ylpyrimidine (PubChem CID 26370006) has the molecular formula C7H9BrN2 and a molecular weight of 201.07 g/mol. Its IUPAC name is 5-bromo-4-propan-2-ylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-propan-2-ylpyrimidine
PubChem CID26370006
Molecular FormulaC7H9BrN2
Molecular Weight201.07 g/mol
Exact Mass199.99
IUPAC Name5-bromo-4-propan-2-ylpyrimidine
SMILESCC(C)c1ncncc1Br
InChIInChI=1S/C7H9BrN2/c1-5(2)7-6(8)3-9-4-10-7/h3-5H,1-2H3
InChIKeyLQPQMMZNSQOAHG-UHFFFAOYSA-N
XLogP2.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.07
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-propan-2-ylpyrimidine?
The IUPAC name of 5-bromo-4-propan-2-ylpyrimidine (CID 26370006) is 5-bromo-4-propan-2-ylpyrimidine.
What is the SMILES notation for 5-bromo-4-propan-2-ylpyrimidine?
The canonical SMILES for 5-bromo-4-propan-2-ylpyrimidine is CC(C)c1ncncc1Br.
What is the InChIKey of 5-bromo-4-propan-2-ylpyrimidine?
The InChIKey is LQPQMMZNSQOAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2/c1-5(2)7-6(8)3-9-4-10-7/h3-5H,1-2H3.
What are the key properties of 5-bromo-4-propan-2-ylpyrimidine?
5-bromo-4-propan-2-ylpyrimidine has a molecular weight of 201.07 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-propan-2-ylpyrimidine is sourced from PubChem (CID 26370006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).