4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)pyrimidine;4,6-dichloro-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidine;4,6-dichloro-5-(4-methylphenyl)-2-pyrazin-2-ylpyrimidine

C41H27Cl7N10O4 — CID 161205086

IUPAC4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)pyrimidine;4,6-dichloro-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidine;4,6-dichloro-5-(4-methylphenyl)-2-pyrazin-2-ylpyrimidine
SMILESCOc1ccc(Cl)c(Oc2c(Cl)ncnc2Cl)c1.COc1ccccc1Oc1c(Cl)nc(-c2cnccn2)nc1Cl.Cc1ccc(-c2c(Cl)nc(-c3cnccn3)nc2Cl)cc1
InChIInChI=1S/C15H10Cl2N4O2.C15H10Cl2N4.C11H7Cl3N2O2/c1-22-10-4-2-3-5-11(10)23-12-13(16)20-15(21-14(12)17)9-8-18-6-7-19-9;1-9-2-4-10(5-3-9)12-13(16)20-15(21-14(12)17)11-8-18-6-7-19-11;1-17-6-2-3-7(12)8(4-6)18-9-10(13)15-5-16-11(9)14/h2-8H,1H3;2-8H,1H3;2-5H,1H3
InChIKeyUVMLHAQMCGADFB-UHFFFAOYSA-N
MW971.90 g/mol
LogP12.49
Rot. Bonds9

About 4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)pyrimidine;4,6-dichloro-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidine;4,6-dichloro-5-(4-methylphenyl)-2-pyrazin-2-ylpyrimidine

4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)pyrimidine;4,6-dichloro-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidine;4,6-dichloro-5-(4-methylphenyl)-2-pyrazin-2-ylpyrimidine (PubChem CID 161205086) has the molecular formula C41H27Cl7N10O4 and a molecular weight of 971.90 g/mol. Its IUPAC name is 4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)pyrimidine;4,6-dichloro-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidine;4,6-dichloro-5-(4-methylphenyl)-2-pyrazin-2-ylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)pyrimidine;4,6-dichloro-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidine;4,6-dichloro-5-(4-methylphenyl)-2-pyrazin-2-ylpyrimidine
PubChem CID161205086
Molecular FormulaC41H27Cl7N10O4
Molecular Weight971.90 g/mol
Exact Mass968.00
IUPAC Name4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)pyrimidine;4,6-dichloro-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidine;4,6-dichloro-5-(4-methylphenyl)-2-pyrazin-2-ylpyrimidine
SMILESCOc1ccc(Cl)c(Oc2c(Cl)ncnc2Cl)c1.COc1ccccc1Oc1c(Cl)nc(-c2cnccn2)nc1Cl.Cc1ccc(-c2c(Cl)nc(-c3cnccn3)nc2Cl)cc1
InChIInChI=1S/C15H10Cl2N4O2.C15H10Cl2N4.C11H7Cl3N2O2/c1-22-10-4-2-3-5-11(10)23-12-13(16)20-15(21-14(12)17)9-8-18-6-7-19-9;1-9-2-4-10(5-3-9)12-13(16)20-15(21-14(12)17)11-8-18-6-7-19-11;1-17-6-2-3-7(12)8(4-6)18-9-10(13)15-5-16-11(9)14/h2-8H,1H3;2-8H,1H3;2-5H,1H3
InChIKeyUVMLHAQMCGADFB-UHFFFAOYSA-N
XLogP12.49
TPSA165.82 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500971.90
LogP ≤ 512.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)pyrimidine;4,6-dichloro-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidine;4,6-dichloro-5-(4-methylphenyl)-2-pyrazin-2-ylpyrimidine with MolForge

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Related Compounds

4-[[benzyl(methyl)sulfamoyl]amino]-6-chloro-5-(4-chlorophenyl)pyrimidine;6-chloro-5-(2-chloro-5-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine;6-chloro-5-(4-chlorophenyl)-N-(cyclopropylmethylsulfamoyl)pyrimidin-4-amine;6-chloro-5-(4-chlorophenyl)-N-(ethylsulfamoyl)pyrimidin-4-amine;6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine;6-chloro-N-(cyclopropylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine
CID 159981270
4-[[benzyl(methyl)sulfamoyl]amino]-6-chloro-5-(4-chlorophenyl)pyrimidine;N-(butylsulfamoyl)-6-chloro-5-(4-chlorophenyl)pyrimidin-4-amine;6-chloro-5-(2-chloro-5-methoxyphenoxy)-N-(pyridin-2-ylmethylsulfamoyl)pyrimidin-4-amine;6-chloro-5-(4-chlorophenyl)-N-(cyclopropylmethylsulfamoyl)pyrimidin-4-amine;6-chloro-5-(4-chlorophenyl)-N-(ethylsulfamoyl)pyrimidin-4-amine;6-chloro-N-(cyclopropylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-amine
CID 161309570
4,6-Dichloro-5-(2-chloro-5-methoxyphenoxy)pyrimidine;4,6-dichloro-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidine
CID 161582517

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)pyrimidine;4,6-dichloro-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidine;4,6-dichloro-5-(4-methylphenyl)-2-pyrazin-2-ylpyrimidine?
The IUPAC name of 4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)pyrimidine;4,6-dichloro-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidine;4,6-dichloro-5-(4-methylphenyl)-2-pyrazin-2-ylpyrimidine (CID 161205086) is 4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)pyrimidine;4,6-dichloro-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidine;4,6-dichloro-5-(4-methylphenyl)-2-pyrazin-2-ylpyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)pyrimidine;4,6-dichloro-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidine;4,6-dichloro-5-(4-methylphenyl)-2-pyrazin-2-ylpyrimidine?
The canonical SMILES for 4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)pyrimidine;4,6-dichloro-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidine;4,6-dichloro-5-(4-methylphenyl)-2-pyrazin-2-ylpyrimidine is COc1ccc(Cl)c(Oc2c(Cl)ncnc2Cl)c1.COc1ccccc1Oc1c(Cl)nc(-c2cnccn2)nc1Cl.Cc1ccc(-c2c(Cl)nc(-c3cnccn3)nc2Cl)cc1.
What is the InChIKey of 4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)pyrimidine;4,6-dichloro-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidine;4,6-dichloro-5-(4-methylphenyl)-2-pyrazin-2-ylpyrimidine?
The InChIKey is UVMLHAQMCGADFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N4O2.C15H10Cl2N4.C11H7Cl3N2O2/c1-22-10-4-2-3-5-11(10)23-12-13(16)20-15(21-14(12)17)9-8-18-6-7-19-9;1-9-2-4-10(5-3-9)12-13(16)20-15(21-14(12)17)11-8-18-6-7-19-11;1-17-6-2-3-7(12)8(4-6)18-9-10(13)15-5-16-11(9)14/h2-8H,1H3;2-8H,1H3;2-5H,1H3.
What are the key properties of 4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)pyrimidine;4,6-dichloro-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidine;4,6-dichloro-5-(4-methylphenyl)-2-pyrazin-2-ylpyrimidine?
4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)pyrimidine;4,6-dichloro-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidine;4,6-dichloro-5-(4-methylphenyl)-2-pyrazin-2-ylpyrimidine has a molecular weight of 971.90 g/mol, XLogP of 12.49, 9 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)pyrimidine;4,6-dichloro-5-(2-methoxyphenoxy)-2-pyrazin-2-ylpyrimidine;4,6-dichloro-5-(4-methylphenyl)-2-pyrazin-2-ylpyrimidine is sourced from PubChem (CID 161205086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).