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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Related Compounds

4-chloro-5-(2-methoxyphenoxy)-6-methyl-2-pyrimidin-2-ylpyrimidine
CID 59532567
6-chloro-5-(2-methoxyphenoxy)-2-(1-oxidopyridin-1-ium-4-yl)pyrimidine-4-carboxamide
CID 21200271
2-(3-bromophenyl)-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine
CID 156704968
2,4-dichloro-6-(2-methoxyphenoxy)-1,3,5-triazine
CID 54201901
4,6-dichloro-5-(2-methoxyphenoxy)pyrimidine;pyrimidine
CID 87134636
4-chloro-5-(2-methoxyphenoxy)-6-propoxy-2-pyrimidin-2-ylpyrimidine
CID 59532565
6-chloro-N-(cyclopropylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine
CID 21041354
4,6-dichloro-2-(2-methoxyphenyl)quinazoline
CID 63084991
potassium (4-tert-butylphenyl)sulfonyl-[6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]azanide
CID 139615664
5-chloro-2-(2-methoxyphenoxy)pyridine
CID 66233202
4,6-dichloro-2-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidine
CID 107922643
6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine
CID 19095701

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).