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

C13H11Cl2FN2O — CID 79437708

IUPAC4,6-dichloro-2-(ethoxymethyl)-5-(4-fluorophenyl)pyrimidine
SMILESCCOCc1nc(Cl)c(-c2ccc(F)cc2)c(Cl)n1
InChIInChI=1S/C13H11Cl2FN2O/c1-2-19-7-10-17-12(14)11(13(15)18-10)8-3-5-9(16)6-4-8/h3-6H,2,7H2,1H3
InChIKeyXXRBBIIWCZNBAA-UHFFFAOYSA-N
MW301.15 g/mol
LogP4.13
Rot. Bonds4

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

4,6-dichloro-2-(ethoxymethyl)-5-(4-fluorophenyl)pyrimidine (PubChem CID 79437708) has the molecular formula C13H11Cl2FN2O and a molecular weight of 301.15 g/mol. Its IUPAC name is 4,6-dichloro-2-(ethoxymethyl)-5-(4-fluorophenyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(ethoxymethyl)-5-(4-fluorophenyl)pyrimidine
PubChem CID79437708
Molecular FormulaC13H11Cl2FN2O
Molecular Weight301.15 g/mol
Exact Mass300.02
IUPAC Name4,6-dichloro-2-(ethoxymethyl)-5-(4-fluorophenyl)pyrimidine
SMILESCCOCc1nc(Cl)c(-c2ccc(F)cc2)c(Cl)n1
InChIInChI=1S/C13H11Cl2FN2O/c1-2-19-7-10-17-12(14)11(13(15)18-10)8-3-5-9(16)6-4-8/h3-6H,2,7H2,1H3
InChIKeyXXRBBIIWCZNBAA-UHFFFAOYSA-N
XLogP4.13
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.15
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(ethoxymethyl)-5-(4-fluorophenyl)pyrimidine?
The IUPAC name of 4,6-dichloro-2-(ethoxymethyl)-5-(4-fluorophenyl)pyrimidine (CID 79437708) is 4,6-dichloro-2-(ethoxymethyl)-5-(4-fluorophenyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(ethoxymethyl)-5-(4-fluorophenyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-2-(ethoxymethyl)-5-(4-fluorophenyl)pyrimidine is CCOCc1nc(Cl)c(-c2ccc(F)cc2)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-(ethoxymethyl)-5-(4-fluorophenyl)pyrimidine?
The InChIKey is XXRBBIIWCZNBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2FN2O/c1-2-19-7-10-17-12(14)11(13(15)18-10)8-3-5-9(16)6-4-8/h3-6H,2,7H2,1H3.
What are the key properties of 4,6-dichloro-2-(ethoxymethyl)-5-(4-fluorophenyl)pyrimidine?
4,6-dichloro-2-(ethoxymethyl)-5-(4-fluorophenyl)pyrimidine has a molecular weight of 301.15 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(ethoxymethyl)-5-(4-fluorophenyl)pyrimidine is sourced from PubChem (CID 79437708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).