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

C12H9Cl2FN2O — CID 79437873

IUPAC4,6-dichloro-5-(4-fluorophenyl)-2-(methoxymethyl)pyrimidine
SMILESCOCc1nc(Cl)c(-c2ccc(F)cc2)c(Cl)n1
InChIInChI=1S/C12H9Cl2FN2O/c1-18-6-9-16-11(13)10(12(14)17-9)7-2-4-8(15)5-3-7/h2-5H,6H2,1H3
InChIKeyCEADGSGQGZVWEA-UHFFFAOYSA-N
MW287.12 g/mol
LogP3.74
Rot. Bonds3

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

4,6-dichloro-5-(4-fluorophenyl)-2-(methoxymethyl)pyrimidine (PubChem CID 79437873) has the molecular formula C12H9Cl2FN2O and a molecular weight of 287.12 g/mol. Its IUPAC name is 4,6-dichloro-5-(4-fluorophenyl)-2-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(4-fluorophenyl)-2-(methoxymethyl)pyrimidine
PubChem CID79437873
Molecular FormulaC12H9Cl2FN2O
Molecular Weight287.12 g/mol
Exact Mass286.01
IUPAC Name4,6-dichloro-5-(4-fluorophenyl)-2-(methoxymethyl)pyrimidine
SMILESCOCc1nc(Cl)c(-c2ccc(F)cc2)c(Cl)n1
InChIInChI=1S/C12H9Cl2FN2O/c1-18-6-9-16-11(13)10(12(14)17-9)7-2-4-8(15)5-3-7/h2-5H,6H2,1H3
InChIKeyCEADGSGQGZVWEA-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 4,6-dichloro-5-(4-fluorophenyl)-2-(methoxymethyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-(4-fluorophenyl)-2-(methoxymethyl)pyrimidine (CID 79437873) is 4,6-dichloro-5-(4-fluorophenyl)-2-(methoxymethyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(4-fluorophenyl)-2-(methoxymethyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-(4-fluorophenyl)-2-(methoxymethyl)pyrimidine is COCc1nc(Cl)c(-c2ccc(F)cc2)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-(4-fluorophenyl)-2-(methoxymethyl)pyrimidine?
The InChIKey is CEADGSGQGZVWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FN2O/c1-18-6-9-16-11(13)10(12(14)17-9)7-2-4-8(15)5-3-7/h2-5H,6H2,1H3.
What are the key properties of 4,6-dichloro-5-(4-fluorophenyl)-2-(methoxymethyl)pyrimidine?
4,6-dichloro-5-(4-fluorophenyl)-2-(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 4,6-dichloro-5-(4-fluorophenyl)-2-(methoxymethyl)pyrimidine is sourced from PubChem (CID 79437873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).