5-bromo-2-chloro-4-methylpyrimidine

C5H4BrClN2 — CID 20600736

IUPAC5-bromo-2-chloro-4-methylpyrimidine
SMILESCc1nc(Cl)ncc1Br
InChIInChI=1S/C5H4BrClN2/c1-3-4(6)2-8-5(7)9-3/h2H,1H3
InChIKeyIIALSLVGUGOODS-UHFFFAOYSA-N
MW207.46 g/mol
LogP2.20
Rot. Bonds

About 5-bromo-2-chloro-4-methylpyrimidine

5-bromo-2-chloro-4-methylpyrimidine (PubChem CID 20600736) has the molecular formula C5H4BrClN2 and a molecular weight of 207.46 g/mol. Its IUPAC name is 5-bromo-2-chloro-4-methylpyrimidine.

Molecular Properties

Compound Name5-bromo-2-chloro-4-methylpyrimidine
PubChem CID20600736
Molecular FormulaC5H4BrClN2
Molecular Weight207.46 g/mol
Exact Mass205.92
IUPAC Name5-bromo-2-chloro-4-methylpyrimidine
SMILESCc1nc(Cl)ncc1Br
InChIInChI=1S/C5H4BrClN2/c1-3-4(6)2-8-5(7)9-3/h2H,1H3
InChIKeyIIALSLVGUGOODS-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-2-chloro-4-methylpyrimidine?
The IUPAC name of 5-bromo-2-chloro-4-methylpyrimidine (CID 20600736) is 5-bromo-2-chloro-4-methylpyrimidine.
What is the SMILES notation for 5-bromo-2-chloro-4-methylpyrimidine?
The canonical SMILES for 5-bromo-2-chloro-4-methylpyrimidine is Cc1nc(Cl)ncc1Br.
What is the InChIKey of 5-bromo-2-chloro-4-methylpyrimidine?
The InChIKey is IIALSLVGUGOODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrClN2/c1-3-4(6)2-8-5(7)9-3/h2H,1H3.
What are the key properties of 5-bromo-2-chloro-4-methylpyrimidine?
5-bromo-2-chloro-4-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-2-chloro-4-methylpyrimidine is sourced from PubChem (CID 20600736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).