5-bromo-2,4-dichloro-6-methylpyrimidine

C5H3BrCl2N2 — CID 4591837

IUPAC5-bromo-2,4-dichloro-6-methylpyrimidine
SMILESCc1nc(Cl)nc(Cl)c1Br
InChIInChI=1S/C5H3BrCl2N2/c1-2-3(6)4(7)10-5(8)9-2/h1H3
InChIKeyRRWAPFKBOJWJGU-UHFFFAOYSA-N
MW241.90 g/mol
LogP2.85
Rot. Bonds

About 5-bromo-2,4-dichloro-6-methylpyrimidine

5-bromo-2,4-dichloro-6-methylpyrimidine (PubChem CID 4591837) has the molecular formula C5H3BrCl2N2 and a molecular weight of 241.90 g/mol. Its IUPAC name is 5-bromo-2,4-dichloro-6-methylpyrimidine.

Molecular Properties

Compound Name5-bromo-2,4-dichloro-6-methylpyrimidine
PubChem CID4591837
Molecular FormulaC5H3BrCl2N2
Molecular Weight241.90 g/mol
Exact Mass239.89
IUPAC Name5-bromo-2,4-dichloro-6-methylpyrimidine
SMILESCc1nc(Cl)nc(Cl)c1Br
InChIInChI=1S/C5H3BrCl2N2/c1-2-3(6)4(7)10-5(8)9-2/h1H3
InChIKeyRRWAPFKBOJWJGU-UHFFFAOYSA-N
XLogP2.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.90
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,4-dichloro-6-methylpyrimidine?
The IUPAC name of 5-bromo-2,4-dichloro-6-methylpyrimidine (CID 4591837) is 5-bromo-2,4-dichloro-6-methylpyrimidine.
What is the SMILES notation for 5-bromo-2,4-dichloro-6-methylpyrimidine?
The canonical SMILES for 5-bromo-2,4-dichloro-6-methylpyrimidine is Cc1nc(Cl)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-2,4-dichloro-6-methylpyrimidine?
The InChIKey is RRWAPFKBOJWJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrCl2N2/c1-2-3(6)4(7)10-5(8)9-2/h1H3.
What are the key properties of 5-bromo-2,4-dichloro-6-methylpyrimidine?
5-bromo-2,4-dichloro-6-methylpyrimidine has a molecular weight of 241.90 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,4-dichloro-6-methylpyrimidine is sourced from PubChem (CID 4591837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).