5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-methylsulfonyl-6-pyridin-3-yloxypyrimidine;5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-propan-2-yloxy-6-pyridin-3-yloxypyrimidine

C46H32Cl6N6O5S — CID 161334677

IUPAC5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-methylsulfonyl-6-pyridin-3-yloxypyrimidine;5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-propan-2-yloxy-6-pyridin-3-yloxypyrimidine
SMILESCC(C)Oc1nc(Oc2cccnc2)c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1.CS(=O)(=O)c1nc(Oc2cccnc2)c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C24H18Cl3N3O2.C22H14Cl3N3O3S/c1-14(2)31-24-29-22(19-10-9-17(26)12-20(19)27)21(15-5-7-16(25)8-6-15)23(30-24)32-18-4-3-11-28-13-18;1-32(29,30)22-27-20(17-9-8-15(24)11-18(17)25)19(13-4-6-14(23)7-5-13)21(28-22)31-16-3-2-10-26-12-16/h3-14H,1-2H3;2-12H,1H3
InChIKeyVLWHGCSIBWRLOJ-UHFFFAOYSA-N
MW993.58 g/mol
LogP14.11
Rot. Bonds11

About 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-methylsulfonyl-6-pyridin-3-yloxypyrimidine;5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-propan-2-yloxy-6-pyridin-3-yloxypyrimidine

5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-methylsulfonyl-6-pyridin-3-yloxypyrimidine;5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-propan-2-yloxy-6-pyridin-3-yloxypyrimidine (PubChem CID 161334677) has the molecular formula C46H32Cl6N6O5S and a molecular weight of 993.58 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-methylsulfonyl-6-pyridin-3-yloxypyrimidine;5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-propan-2-yloxy-6-pyridin-3-yloxypyrimidine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-methylsulfonyl-6-pyridin-3-yloxypyrimidine;5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-propan-2-yloxy-6-pyridin-3-yloxypyrimidine
PubChem CID161334677
Molecular FormulaC46H32Cl6N6O5S
Molecular Weight993.58 g/mol
Exact Mass990.03
IUPAC Name5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-methylsulfonyl-6-pyridin-3-yloxypyrimidine;5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-propan-2-yloxy-6-pyridin-3-yloxypyrimidine
SMILESCC(C)Oc1nc(Oc2cccnc2)c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1.CS(=O)(=O)c1nc(Oc2cccnc2)c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C24H18Cl3N3O2.C22H14Cl3N3O3S/c1-14(2)31-24-29-22(19-10-9-17(26)12-20(19)27)21(15-5-7-16(25)8-6-15)23(30-24)32-18-4-3-11-28-13-18;1-32(29,30)22-27-20(17-9-8-15(24)11-18(17)25)19(13-4-6-14(23)7-5-13)21(28-22)31-16-3-2-10-26-12-16/h3-14H,1-2H3;2-12H,1H3
InChIKeyVLWHGCSIBWRLOJ-UHFFFAOYSA-N
XLogP14.11
TPSA139.17 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500993.58
LogP ≤ 514.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-methylsulfonyl-6-pyridin-3-yloxypyrimidine;5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-propan-2-yloxy-6-pyridin-3-yloxypyrimidine with MolForge

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Related Compounds

5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-methylsulfonyl-2-propan-2-yloxypyrimidine
CID 59753904
5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-(2,2-dimethylpropoxy)-6-pyridin-3-yloxypyrimidine
CID 10459152
5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2,6-bis(methylsulfonyl)pyrimidine
CID 59753883
5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-(2-fluorophenoxy)-2-methoxypyrimidine
CID 90718314
5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-methoxy-2-pyridin-2-yloxypyrimidine
CID 10321933
2-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-methoxypyrimidin-4-yl]oxybenzonitrile
CID 91396595
5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-(pyridin-3-ylmethoxy)pyrimidine
CID 10003493
4-chloro-2-(4-propan-2-yloxyphenyl)-6-pyridin-3-ylpyridine
CID 90118273
1-[4-(2,4-dichlorophenyl)-2,6-bis(methylsulfonyl)pyrimidin-5-yl]ethanone
CID 69198047
[4-(2,4-dichlorophenyl)-6-methyl-2-methylsulfonylpyrimidin-5-yl] acetate
CID 59753900
3-chloro-4-(3-propan-2-yloxyphenyl)benzaldehyde
CID 114076469
3-amino-4-(4-chloro-2-pyridin-3-yloxyphenyl)cyclobut-3-ene-1,2-dione
CID 142659371

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-methylsulfonyl-6-pyridin-3-yloxypyrimidine;5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-propan-2-yloxy-6-pyridin-3-yloxypyrimidine?
The IUPAC name of 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-methylsulfonyl-6-pyridin-3-yloxypyrimidine;5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-propan-2-yloxy-6-pyridin-3-yloxypyrimidine (CID 161334677) is 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-methylsulfonyl-6-pyridin-3-yloxypyrimidine;5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-propan-2-yloxy-6-pyridin-3-yloxypyrimidine.
What is the SMILES notation for 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-methylsulfonyl-6-pyridin-3-yloxypyrimidine;5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-propan-2-yloxy-6-pyridin-3-yloxypyrimidine?
The canonical SMILES for 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-methylsulfonyl-6-pyridin-3-yloxypyrimidine;5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-propan-2-yloxy-6-pyridin-3-yloxypyrimidine is CC(C)Oc1nc(Oc2cccnc2)c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1.CS(=O)(=O)c1nc(Oc2cccnc2)c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-methylsulfonyl-6-pyridin-3-yloxypyrimidine;5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-propan-2-yloxy-6-pyridin-3-yloxypyrimidine?
The InChIKey is VLWHGCSIBWRLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl3N3O2.C22H14Cl3N3O3S/c1-14(2)31-24-29-22(19-10-9-17(26)12-20(19)27)21(15-5-7-16(25)8-6-15)23(30-24)32-18-4-3-11-28-13-18;1-32(29,30)22-27-20(17-9-8-15(24)11-18(17)25)19(13-4-6-14(23)7-5-13)21(28-22)31-16-3-2-10-26-12-16/h3-14H,1-2H3;2-12H,1H3.
What are the key properties of 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-methylsulfonyl-6-pyridin-3-yloxypyrimidine;5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-propan-2-yloxy-6-pyridin-3-yloxypyrimidine?
5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-methylsulfonyl-6-pyridin-3-yloxypyrimidine;5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-propan-2-yloxy-6-pyridin-3-yloxypyrimidine has a molecular weight of 993.58 g/mol, XLogP of 14.11, 11 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-methylsulfonyl-6-pyridin-3-yloxypyrimidine;5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-propan-2-yloxy-6-pyridin-3-yloxypyrimidine is sourced from PubChem (CID 161334677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).