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

C6H5Cl2FN2O — CID 80550305

IUPAC4,6-dichloro-5-fluoro-2-(methoxymethyl)pyrimidine
SMILESCOCc1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C6H5Cl2FN2O/c1-12-2-3-10-5(7)4(9)6(8)11-3/h2H2,1H3
InChIKeyZIHXNCWMBJEZBT-UHFFFAOYSA-N
MW211.02 g/mol
LogP2.07
Rot. Bonds2

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

4,6-dichloro-5-fluoro-2-(methoxymethyl)pyrimidine (PubChem CID 80550305) has the molecular formula C6H5Cl2FN2O and a molecular weight of 211.02 g/mol. Its IUPAC name is 4,6-dichloro-5-fluoro-2-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-fluoro-2-(methoxymethyl)pyrimidine
PubChem CID80550305
Molecular FormulaC6H5Cl2FN2O
Molecular Weight211.02 g/mol
Exact Mass209.98
IUPAC Name4,6-dichloro-5-fluoro-2-(methoxymethyl)pyrimidine
SMILESCOCc1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C6H5Cl2FN2O/c1-12-2-3-10-5(7)4(9)6(8)11-3/h2H2,1H3
InChIKeyZIHXNCWMBJEZBT-UHFFFAOYSA-N
XLogP2.07
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.02
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-Dichloro-5-fluoro-2-methylpyrimidine
CID 13731033
4,6-Dichloro-2-(methoxymethyl)pyrimidine
CID 53438121
4,6-Dichloro-2-ethyl-5-fluoropyrimidine
CID 55264154
4,6-dichloro-5-methoxy-2-methylPyrimidine
CID 58293651
4,6-Dichloro-2-(ethoxymethyl)pyrimidine
CID 65669367
4,6-Dichloro-2-(1-methoxyethyl)pyrimidine
CID 79617116
Methyl 4,6-dichloro-5-fluoropyrimidine-2-carboxylate
CID 80550148
4-Chloro-5-fluoro-2-(methoxymethyl)pyrimidine
CID 40151944
4,6-Dichloro-5-fluoro-2-(fluoromethyl)pyrimidine
CID 58000547
4,6-Dichloro-2-(2,2,2-trifluoroethoxymethyl)pyrimidine
CID 103473548
4,6-Dichloro-2-(1,2,2-trifluoroethoxymethyl)pyrimidine
CID 175548643
4,6-Dichloro-5-fluoro-2-isopropylpyrimidine
CID 79033231

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-fluoro-2-(methoxymethyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-fluoro-2-(methoxymethyl)pyrimidine (CID 80550305) is 4,6-dichloro-5-fluoro-2-(methoxymethyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-fluoro-2-(methoxymethyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-fluoro-2-(methoxymethyl)pyrimidine is COCc1nc(Cl)c(F)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-fluoro-2-(methoxymethyl)pyrimidine?
The InChIKey is ZIHXNCWMBJEZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2FN2O/c1-12-2-3-10-5(7)4(9)6(8)11-3/h2H2,1H3.
What are the key properties of 4,6-dichloro-5-fluoro-2-(methoxymethyl)pyrimidine?
4,6-dichloro-5-fluoro-2-(methoxymethyl)pyrimidine has a molecular weight of 211.02 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-fluoro-2-(methoxymethyl)pyrimidine is sourced from PubChem (CID 80550305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).