2-bromo-4-methyl-6-propylpyrimidine

C8H11BrN2 — CID 116897203

IUPAC2-bromo-4-methyl-6-propylpyrimidine
SMILESCCCc1cc(C)nc(Br)n1
InChIInChI=1S/C8H11BrN2/c1-3-4-7-5-6(2)10-8(9)11-7/h5H,3-4H2,1-2H3
InChIKeyCXSYCGUCTWTNNC-UHFFFAOYSA-N
MW215.09 g/mol
LogP2.50
Rot. Bonds2

About 2-bromo-4-methyl-6-propylpyrimidine

2-bromo-4-methyl-6-propylpyrimidine (PubChem CID 116897203) has the molecular formula C8H11BrN2 and a molecular weight of 215.09 g/mol. Its IUPAC name is 2-bromo-4-methyl-6-propylpyrimidine.

Molecular Properties

Compound Name2-bromo-4-methyl-6-propylpyrimidine
PubChem CID116897203
Molecular FormulaC8H11BrN2
Molecular Weight215.09 g/mol
Exact Mass214.01
IUPAC Name2-bromo-4-methyl-6-propylpyrimidine
SMILESCCCc1cc(C)nc(Br)n1
InChIInChI=1S/C8H11BrN2/c1-3-4-7-5-6(2)10-8(9)11-7/h5H,3-4H2,1-2H3
InChIKeyCXSYCGUCTWTNNC-UHFFFAOYSA-N
XLogP2.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methyl-6-propylpyrimidine?
The IUPAC name of 2-bromo-4-methyl-6-propylpyrimidine (CID 116897203) is 2-bromo-4-methyl-6-propylpyrimidine.
What is the SMILES notation for 2-bromo-4-methyl-6-propylpyrimidine?
The canonical SMILES for 2-bromo-4-methyl-6-propylpyrimidine is CCCc1cc(C)nc(Br)n1.
What is the InChIKey of 2-bromo-4-methyl-6-propylpyrimidine?
The InChIKey is CXSYCGUCTWTNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2/c1-3-4-7-5-6(2)10-8(9)11-7/h5H,3-4H2,1-2H3.
What are the key properties of 2-bromo-4-methyl-6-propylpyrimidine?
2-bromo-4-methyl-6-propylpyrimidine has a molecular weight of 215.09 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methyl-6-propylpyrimidine is sourced from PubChem (CID 116897203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).