5-bromo-2,4-dichloro-6-(methoxymethyl)pyrimidine

C6H5BrCl2N2O — CID 86761728

IUPAC5-bromo-2,4-dichloro-6-(methoxymethyl)pyrimidine
SMILESCOCc1nc(Cl)nc(Cl)c1Br
InChIInChI=1S/C6H5BrCl2N2O/c1-12-2-3-4(7)5(8)11-6(9)10-3/h2H2,1H3
InChIKeyDGPUHQSCTCUIFJ-UHFFFAOYSA-N
MW271.93 g/mol
LogP2.69
Rot. Bonds2

About 5-bromo-2,4-dichloro-6-(methoxymethyl)pyrimidine

5-bromo-2,4-dichloro-6-(methoxymethyl)pyrimidine (PubChem CID 86761728) has the molecular formula C6H5BrCl2N2O and a molecular weight of 271.93 g/mol. Its IUPAC name is 5-bromo-2,4-dichloro-6-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-2,4-dichloro-6-(methoxymethyl)pyrimidine
PubChem CID86761728
Molecular FormulaC6H5BrCl2N2O
Molecular Weight271.93 g/mol
Exact Mass269.90
IUPAC Name5-bromo-2,4-dichloro-6-(methoxymethyl)pyrimidine
SMILESCOCc1nc(Cl)nc(Cl)c1Br
InChIInChI=1S/C6H5BrCl2N2O/c1-12-2-3-4(7)5(8)11-6(9)10-3/h2H2,1H3
InChIKeyDGPUHQSCTCUIFJ-UHFFFAOYSA-N
XLogP2.69
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.93
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,4-dichloro-6-(methoxymethyl)pyrimidine?
The IUPAC name of 5-bromo-2,4-dichloro-6-(methoxymethyl)pyrimidine (CID 86761728) is 5-bromo-2,4-dichloro-6-(methoxymethyl)pyrimidine.
What is the SMILES notation for 5-bromo-2,4-dichloro-6-(methoxymethyl)pyrimidine?
The canonical SMILES for 5-bromo-2,4-dichloro-6-(methoxymethyl)pyrimidine is COCc1nc(Cl)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-2,4-dichloro-6-(methoxymethyl)pyrimidine?
The InChIKey is DGPUHQSCTCUIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrCl2N2O/c1-12-2-3-4(7)5(8)11-6(9)10-3/h2H2,1H3.
What are the key properties of 5-bromo-2,4-dichloro-6-(methoxymethyl)pyrimidine?
5-bromo-2,4-dichloro-6-(methoxymethyl)pyrimidine has a molecular weight of 271.93 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,4-dichloro-6-(methoxymethyl)pyrimidine is sourced from PubChem (CID 86761728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).