2-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-methoxypyrimidin-4-yl]oxybenzonitrile

C24H14Cl3N3O2 — CID 91396595

IUPAC2-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-methoxypyrimidin-4-yl]oxybenzonitrile
SMILESCOc1nc(Oc2ccccc2C#N)c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C24H14Cl3N3O2/c1-31-24-29-22(18-11-10-17(26)12-19(18)27)21(14-6-8-16(25)9-7-14)23(30-24)32-20-5-3-2-4-15(20)13-28/h2-12H,1H3
InChIKeySUZRWAHNVWMSOT-UHFFFAOYSA-N
MW482.75 g/mol
LogP7.44
Rot. Bonds5

About 2-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-methoxypyrimidin-4-yl]oxybenzonitrile

2-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-methoxypyrimidin-4-yl]oxybenzonitrile (PubChem CID 91396595) has the molecular formula C24H14Cl3N3O2 and a molecular weight of 482.75 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-methoxypyrimidin-4-yl]oxybenzonitrile.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-methoxypyrimidin-4-yl]oxybenzonitrile
PubChem CID91396595
Molecular FormulaC24H14Cl3N3O2
Molecular Weight482.75 g/mol
Exact Mass481.02
IUPAC Name2-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-methoxypyrimidin-4-yl]oxybenzonitrile
SMILESCOc1nc(Oc2ccccc2C#N)c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C24H14Cl3N3O2/c1-31-24-29-22(18-11-10-17(26)12-19(18)27)21(14-6-8-16(25)9-7-14)23(30-24)32-20-5-3-2-4-15(20)13-28/h2-12H,1H3
InChIKeySUZRWAHNVWMSOT-UHFFFAOYSA-N
XLogP7.44
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.75
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)pyrimidin-4-amine
CID 10309295
2-(4-Chlorophenoxy)-6-(4-methoxyphenyl)pyrimidine-4-carbonitrile
CID 1849672
4-[[4-Amino-6-[4-(2-chlorophenyl)-2,6-dimethylphenoxy]pyrimidin-2-yl]amino]benzonitrile
CID 168286537
4-[[4-Amino-6-[4-(4-chlorophenyl)-2,6-dimethylphenoxy]pyrimidin-2-yl]amino]benzonitrile
CID 168297470
2-(4-Chlorophenoxy)-6-phenylpyrimidine-4-carbonitrile
CID 929341
2-(4-Chloroanilino)-4-(4-chlorophenyl)-6-phenylmethoxypyrimidine-5-carbonitrile
CID 71524788
2-(4-Chloroanilino)-4-(4-chlorophenyl)-6-ethoxypyrimidine-5-carbonitrile
CID 71524790
2-Benzylsulfanyl-4-(4-chlorophenyl)-6-phenylmethoxypyrimidine-5-carbonitrile
CID 71525062
4-(2,4-Dichlorophenyl)-6-(3-phenylmethoxyphenyl)pyrimidin-2-amine
CID 171353446
4-(4-Chlorophenyl)-2-phenyl-6-(2-prop-2-ynoxyphenyl)pyrimidine
CID 177378909
N'-[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-(3,4-difluorophenoxy)pyrimidin-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 9985356
5-(4-Chlorophenyl)-4-(2,4-dichlorophenyl)-2-(3,4-difluorophenoxy)-6-methoxypyrimidine
CID 10005915

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-methoxypyrimidin-4-yl]oxybenzonitrile?
The IUPAC name of 2-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-methoxypyrimidin-4-yl]oxybenzonitrile (CID 91396595) is 2-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-methoxypyrimidin-4-yl]oxybenzonitrile.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-methoxypyrimidin-4-yl]oxybenzonitrile?
The canonical SMILES for 2-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-methoxypyrimidin-4-yl]oxybenzonitrile is COc1nc(Oc2ccccc2C#N)c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 2-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-methoxypyrimidin-4-yl]oxybenzonitrile?
The InChIKey is SUZRWAHNVWMSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl3N3O2/c1-31-24-29-22(18-11-10-17(26)12-19(18)27)21(14-6-8-16(25)9-7-14)23(30-24)32-20-5-3-2-4-15(20)13-28/h2-12H,1H3.
What are the key properties of 2-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-methoxypyrimidin-4-yl]oxybenzonitrile?
2-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-methoxypyrimidin-4-yl]oxybenzonitrile has a molecular weight of 482.75 g/mol, XLogP of 7.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-methoxypyrimidin-4-yl]oxybenzonitrile is sourced from PubChem (CID 91396595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).