4-chloro-2-(2-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidine

C12H9Cl2FN2O — CID 62944668

IUPAC4-chloro-2-(2-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidine
SMILESCOCc1cc(Cl)nc(-c2ccc(F)cc2Cl)n1
InChIInChI=1S/C12H9Cl2FN2O/c1-18-6-8-5-11(14)17-12(16-8)9-3-2-7(15)4-10(9)13/h2-5H,6H2,1H3
InChIKeyOMDUMCQJEHJNPK-UHFFFAOYSA-N
MW287.12 g/mol
LogP3.74
Rot. Bonds3

About 4-chloro-2-(2-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidine

4-chloro-2-(2-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidine (PubChem CID 62944668) has the molecular formula C12H9Cl2FN2O and a molecular weight of 287.12 g/mol. Its IUPAC name is 4-chloro-2-(2-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidine
PubChem CID62944668
Molecular FormulaC12H9Cl2FN2O
Molecular Weight287.12 g/mol
Exact Mass286.01
IUPAC Name4-chloro-2-(2-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidine
SMILESCOCc1cc(Cl)nc(-c2ccc(F)cc2Cl)n1
InChIInChI=1S/C12H9Cl2FN2O/c1-18-6-8-5-11(14)17-12(16-8)9-3-2-7(15)4-10(9)13/h2-5H,6H2,1H3
InChIKeyOMDUMCQJEHJNPK-UHFFFAOYSA-N
XLogP3.74
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.12
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidine?
The IUPAC name of 4-chloro-2-(2-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidine (CID 62944668) is 4-chloro-2-(2-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(2-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidine?
The canonical SMILES for 4-chloro-2-(2-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidine is COCc1cc(Cl)nc(-c2ccc(F)cc2Cl)n1.
What is the InChIKey of 4-chloro-2-(2-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidine?
The InChIKey is OMDUMCQJEHJNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FN2O/c1-18-6-8-5-11(14)17-12(16-8)9-3-2-7(15)4-10(9)13/h2-5H,6H2,1H3.
What are the key properties of 4-chloro-2-(2-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidine?
4-chloro-2-(2-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidine has a molecular weight of 287.12 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidine is sourced from PubChem (CID 62944668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).