4-bromo-2-chloro-6-methylpyrimidine

C5H4BrClN2 — CID 66521139

IUPAC4-bromo-2-chloro-6-methylpyrimidine
SMILESCc1cc(Br)nc(Cl)n1
InChIInChI=1S/C5H4BrClN2/c1-3-2-4(6)9-5(7)8-3/h2H,1H3
InChIKeyIAZHWQUUIZLBAW-UHFFFAOYSA-N
MW207.46 g/mol
LogP2.20
Rot. Bonds

About 4-bromo-2-chloro-6-methylpyrimidine

4-bromo-2-chloro-6-methylpyrimidine (PubChem CID 66521139) has the molecular formula C5H4BrClN2 and a molecular weight of 207.46 g/mol. Its IUPAC name is 4-bromo-2-chloro-6-methylpyrimidine.

Molecular Properties

Compound Name4-bromo-2-chloro-6-methylpyrimidine
PubChem CID66521139
Molecular FormulaC5H4BrClN2
Molecular Weight207.46 g/mol
Exact Mass205.92
IUPAC Name4-bromo-2-chloro-6-methylpyrimidine
SMILESCc1cc(Br)nc(Cl)n1
InChIInChI=1S/C5H4BrClN2/c1-3-2-4(6)9-5(7)8-3/h2H,1H3
InChIKeyIAZHWQUUIZLBAW-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 4-bromo-2-chloro-6-methylpyrimidine?
The IUPAC name of 4-bromo-2-chloro-6-methylpyrimidine (CID 66521139) is 4-bromo-2-chloro-6-methylpyrimidine.
What is the SMILES notation for 4-bromo-2-chloro-6-methylpyrimidine?
The canonical SMILES for 4-bromo-2-chloro-6-methylpyrimidine is Cc1cc(Br)nc(Cl)n1.
What is the InChIKey of 4-bromo-2-chloro-6-methylpyrimidine?
The InChIKey is IAZHWQUUIZLBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrClN2/c1-3-2-4(6)9-5(7)8-3/h2H,1H3.
What are the key properties of 4-bromo-2-chloro-6-methylpyrimidine?
4-bromo-2-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 4-bromo-2-chloro-6-methylpyrimidine is sourced from PubChem (CID 66521139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).