4,6-dichloro-2-(4-chlorophenyl)-5-(2-methoxyphenoxy)pyrimidine

C17H11Cl3N2O2 — CID 156768151

IUPAC4,6-dichloro-2-(4-chlorophenyl)-5-(2-methoxyphenoxy)pyrimidine
SMILESCOc1ccccc1Oc1c(Cl)nc(-c2ccc(Cl)cc2)nc1Cl
InChIInChI=1S/C17H11Cl3N2O2/c1-23-12-4-2-3-5-13(12)24-14-15(19)21-17(22-16(14)20)10-6-8-11(18)9-7-10/h2-9H,1H3
InChIKeyDBBCUGFARXCSQY-UHFFFAOYSA-N
MW381.65 g/mol
LogP5.90
Rot. Bonds4

About 4,6-dichloro-2-(4-chlorophenyl)-5-(2-methoxyphenoxy)pyrimidine

4,6-dichloro-2-(4-chlorophenyl)-5-(2-methoxyphenoxy)pyrimidine (PubChem CID 156768151) has the molecular formula C17H11Cl3N2O2 and a molecular weight of 381.65 g/mol. Its IUPAC name is 4,6-dichloro-2-(4-chlorophenyl)-5-(2-methoxyphenoxy)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(4-chlorophenyl)-5-(2-methoxyphenoxy)pyrimidine
PubChem CID156768151
Molecular FormulaC17H11Cl3N2O2
Molecular Weight381.65 g/mol
Exact Mass379.99
IUPAC Name4,6-dichloro-2-(4-chlorophenyl)-5-(2-methoxyphenoxy)pyrimidine
SMILESCOc1ccccc1Oc1c(Cl)nc(-c2ccc(Cl)cc2)nc1Cl
InChIInChI=1S/C17H11Cl3N2O2/c1-23-12-4-2-3-5-13(12)24-14-15(19)21-17(22-16(14)20)10-6-8-11(18)9-7-10/h2-9H,1H3
InChIKeyDBBCUGFARXCSQY-UHFFFAOYSA-N
XLogP5.90
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.65
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(4-chlorophenyl)-5-(2-methoxyphenoxy)pyrimidine?
The IUPAC name of 4,6-dichloro-2-(4-chlorophenyl)-5-(2-methoxyphenoxy)pyrimidine (CID 156768151) is 4,6-dichloro-2-(4-chlorophenyl)-5-(2-methoxyphenoxy)pyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(4-chlorophenyl)-5-(2-methoxyphenoxy)pyrimidine?
The canonical SMILES for 4,6-dichloro-2-(4-chlorophenyl)-5-(2-methoxyphenoxy)pyrimidine is COc1ccccc1Oc1c(Cl)nc(-c2ccc(Cl)cc2)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-(4-chlorophenyl)-5-(2-methoxyphenoxy)pyrimidine?
The InChIKey is DBBCUGFARXCSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl3N2O2/c1-23-12-4-2-3-5-13(12)24-14-15(19)21-17(22-16(14)20)10-6-8-11(18)9-7-10/h2-9H,1H3.
What are the key properties of 4,6-dichloro-2-(4-chlorophenyl)-5-(2-methoxyphenoxy)pyrimidine?
4,6-dichloro-2-(4-chlorophenyl)-5-(2-methoxyphenoxy)pyrimidine has a molecular weight of 381.65 g/mol, XLogP of 5.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(4-chlorophenyl)-5-(2-methoxyphenoxy)pyrimidine is sourced from PubChem (CID 156768151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).