5-bromo-2-methylpyrimidine

C5H5BrN2 — CID 14387744

IUPAC5-bromo-2-methylpyrimidine
SMILESCc1ncc(Br)cn1
InChIInChI=1S/C5H5BrN2/c1-4-7-2-5(6)3-8-4/h2-3H,1H3
InChIKeyNEDJTEXNSTUKHW-UHFFFAOYSA-N
MW173.01 g/mol
LogP1.55
Rot. Bonds

About 5-bromo-2-methylpyrimidine

5-bromo-2-methylpyrimidine (PubChem CID 14387744) has the molecular formula C5H5BrN2 and a molecular weight of 173.01 g/mol. Its IUPAC name is 5-bromo-2-methylpyrimidine.

Molecular Properties

Compound Name5-bromo-2-methylpyrimidine
PubChem CID14387744
Molecular FormulaC5H5BrN2
Molecular Weight173.01 g/mol
Exact Mass171.96
IUPAC Name5-bromo-2-methylpyrimidine
SMILESCc1ncc(Br)cn1
InChIInChI=1S/C5H5BrN2/c1-4-7-2-5(6)3-8-4/h2-3H,1H3
InChIKeyNEDJTEXNSTUKHW-UHFFFAOYSA-N
XLogP1.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.01
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methylpyrimidine?
The IUPAC name of 5-bromo-2-methylpyrimidine (CID 14387744) is 5-bromo-2-methylpyrimidine.
What is the SMILES notation for 5-bromo-2-methylpyrimidine?
The canonical SMILES for 5-bromo-2-methylpyrimidine is Cc1ncc(Br)cn1.
What is the InChIKey of 5-bromo-2-methylpyrimidine?
The InChIKey is NEDJTEXNSTUKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2/c1-4-7-2-5(6)3-8-4/h2-3H,1H3.
What are the key properties of 5-bromo-2-methylpyrimidine?
5-bromo-2-methylpyrimidine has a molecular weight of 173.01 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methylpyrimidine is sourced from PubChem (CID 14387744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).