5-bromo-4-chloro-6-methylpyrimidine

C5H4BrClN2 — CID 4077921

IUPAC5-bromo-4-chloro-6-methylpyrimidine
SMILESCc1ncnc(Cl)c1Br
InChIInChI=1S/C5H4BrClN2/c1-3-4(6)5(7)9-2-8-3/h2H,1H3
InChIKeyCOSNNPGRFRGVPC-UHFFFAOYSA-N
MW207.46 g/mol
LogP2.20
Rot. Bonds

About 5-bromo-4-chloro-6-methylpyrimidine

5-bromo-4-chloro-6-methylpyrimidine (PubChem CID 4077921) has the molecular formula C5H4BrClN2 and a molecular weight of 207.46 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-methylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-methylpyrimidine
PubChem CID4077921
Molecular FormulaC5H4BrClN2
Molecular Weight207.46 g/mol
Exact Mass205.92
IUPAC Name5-bromo-4-chloro-6-methylpyrimidine
SMILESCc1ncnc(Cl)c1Br
InChIInChI=1S/C5H4BrClN2/c1-3-4(6)5(7)9-2-8-3/h2H,1H3
InChIKeyCOSNNPGRFRGVPC-UHFFFAOYSA-N
XLogP2.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.46
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-methylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-methylpyrimidine (CID 4077921) is 5-bromo-4-chloro-6-methylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-methylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-methylpyrimidine is Cc1ncnc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-methylpyrimidine?
The InChIKey is COSNNPGRFRGVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrClN2/c1-3-4(6)5(7)9-2-8-3/h2H,1H3.
What are the key properties of 5-bromo-4-chloro-6-methylpyrimidine?
5-bromo-4-chloro-6-methylpyrimidine has a molecular weight of 207.46 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-methylpyrimidine is sourced from PubChem (CID 4077921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).