2,4-dichloro-6-[3-(2,6-dichloropyrimidin-4-yl)-2,4-diphenylcyclobutyl]pyrimidine

C96H64Cl16N16 — CID 157167744

IUPAC2,4-dichloro-6-[3-(2,6-dichloropyrimidin-4-yl)-2,4-diphenylcyclobutyl]pyrimidine
SMILESClc1cc(C2C(c3ccccc3)C(c3cc(Cl)nc(Cl)n3)C2c2ccccc2)nc(Cl)n1.Clc1cc(C2C(c3ccccc3)C(c3cc(Cl)nc(Cl)n3)C2c2ccccc2)nc(Cl)n1.Clc1cc(C2C(c3ccccc3)C(c3cc(Cl)nc(Cl)n3)C2c2ccccc2)nc(Cl)n1.Clc1cc(C2C(c3ccccc3)C(c3cc(Cl)nc(Cl)n3)C2c2ccccc2)nc(Cl)n1
InChIInChI=1S/4C24H16Cl4N4/c4*25-17-11-15(29-23(27)31-17)21-19(13-7-3-1-4-8-13)22(16-12-18(26)32-24(28)30-16)20(21)14-9-5-2-6-10-14/h4*1-12,19-22H
InChIKeyANCMHTAQAXORAG-UHFFFAOYSA-N
MW2008.93 g/mol
LogP29.32
Rot. Bonds16

About 2,4-dichloro-6-[3-(2,6-dichloropyrimidin-4-yl)-2,4-diphenylcyclobutyl]pyrimidine

2,4-dichloro-6-[3-(2,6-dichloropyrimidin-4-yl)-2,4-diphenylcyclobutyl]pyrimidine (PubChem CID 157167744) has the molecular formula C96H64Cl16N16 and a molecular weight of 2008.93 g/mol. Its IUPAC name is 2,4-dichloro-6-[3-(2,6-dichloropyrimidin-4-yl)-2,4-diphenylcyclobutyl]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-6-[3-(2,6-dichloropyrimidin-4-yl)-2,4-diphenylcyclobutyl]pyrimidine
PubChem CID157167744
Molecular FormulaC96H64Cl16N16
Molecular Weight2008.93 g/mol
Exact Mass2000.05
IUPAC Name2,4-dichloro-6-[3-(2,6-dichloropyrimidin-4-yl)-2,4-diphenylcyclobutyl]pyrimidine
SMILESClc1cc(C2C(c3ccccc3)C(c3cc(Cl)nc(Cl)n3)C2c2ccccc2)nc(Cl)n1.Clc1cc(C2C(c3ccccc3)C(c3cc(Cl)nc(Cl)n3)C2c2ccccc2)nc(Cl)n1.Clc1cc(C2C(c3ccccc3)C(c3cc(Cl)nc(Cl)n3)C2c2ccccc2)nc(Cl)n1.Clc1cc(C2C(c3ccccc3)C(c3cc(Cl)nc(Cl)n3)C2c2ccccc2)nc(Cl)n1
InChIInChI=1S/4C24H16Cl4N4/c4*25-17-11-15(29-23(27)31-17)21-19(13-7-3-1-4-8-13)22(16-12-18(26)32-24(28)30-16)20(21)14-9-5-2-6-10-14/h4*1-12,19-22H
InChIKeyANCMHTAQAXORAG-UHFFFAOYSA-N
XLogP29.32
TPSA206.24 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002008.93
LogP ≤ 529.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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Related Compounds

6,6'-((1R,2R,3S,4S)-2,4-diphenylcyclobutane-1,3-diyl)bis(2,4-dichloropyrimidine
CID 101891346
6,6'-((1R,2R,3S,4S)-2,4-diphenylcyclobutane-1,3-diyl)bis(4-chloropyrimidine)
CID 117985904
6,6'-((1R,2R,3S,4S)-2,4-di(4-phenyl)phenylcyclobutane-1,3-diyl)bis(2,4-dichloropyrimidine)
CID 117986062
4-Chloro-2-(2-chlorophenyl)-5,6-dimethylpyrimidine;4-chloro-6-cyclohexyl-2-[2-(trifluoromethyl)phenyl]pyrimidine;4-chloro-2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidine;4-chloro-5,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidine;4-chloro-6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidine;4-chloro-6-phenyl-2-[2-(trifluoromethyl)phenyl]pyrimidine
CID 157635077
Tetrakis(2-chloro-4,6-dimethylpyridine);4-chloro-2,6-dimethylpyridine;bis(2-chloro-4,6-dimethylpyrimidine);tris(4-chloro-2,6-dimethylpyrimidine);bis(2-chloro-4,6-dimethyl-1,3,5-triazine);bis(2,4-dimethyl-6-(trifluoromethyl)pyridine);2,4-dimethyl-6-(trifluoromethyl)pyrimidine;4,6-dimethyl-2-(trifluoromethyl)pyrimidine;2,4-dimethyl-6-(trifluoromethyl)-1,3,5-triazine
CID 158326483
Tris(2-chloro-4,6-dimethylpyridine);4-chloro-2,6-dimethylpyridine;bis(2-chloro-4,6-dimethylpyrimidine);tris(4-chloro-2,6-dimethylpyrimidine);bis(2-chloro-4,6-dimethyl-1,3,5-triazine);tris(2,4-dimethyl-6-(trifluoromethyl)pyridine);2,4-dimethyl-6-(trifluoromethyl)pyrimidine;4,6-dimethyl-2-(trifluoromethyl)pyrimidine;2,4-dimethyl-6-(trifluoromethyl)-1,3,5-triazine;methane
CID 158501367
4-Chloro-2-(2-chlorophenyl)-5,6-dimethylpyrimidine;4-chloro-6-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidine;4-chloro-6-cyclohexyl-2-[2-(trifluoromethyl)phenyl]pyrimidine;4-chloro-2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidine;4-chloro-5,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidine;4-chloro-6-(2-fluorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidine;4-chloro-6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidine;4-chloro-6-phenyl-2-[2-(trifluoromethyl)phenyl]pyrimidine
CID 158938912
4-Chloro-2-(2-chlorophenyl)-5,6-dimethylpyrimidine;4-chloro-6-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidine;4-chloro-6-cyclohexyl-2-[2-(trifluoromethyl)phenyl]pyrimidine;4-chloro-2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidine;4-chloro-5,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidine;4-chloro-6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidine;4-chloro-6-phenyl-2-[2-(trifluoromethyl)phenyl]pyrimidine
CID 159518480
Tetrakis(2-chloro-4,6-dimethylpyridine);4-chloro-2,6-dimethylpyridine;bis(2-chloro-4,6-dimethylpyrimidine);tris(4-chloro-2,6-dimethylpyrimidine);bis(2-chloro-4,6-dimethyl-1,3,5-triazine);bis(2,4-dimethyl-6-(trifluoromethyl)pyridine);2,4-dimethyl-6-(trifluoromethyl)pyrimidine;4,6-dimethyl-2-(trifluoromethyl)pyrimidine;2,4-dimethyl-6-(trifluoromethyl)-1,3,5-triazine;methane
CID 161662204
2-[4,6-Bis(4,6-diphenylpyrimidin-2-yl)pyrimidin-2-yl]-4,6-bis(4,6-diphenylpyrimidin-2-yl)pyrimidine
CID 59500753
2,4-dichloro-6-[(1R,2S,3R,4R)-2-(2,6-dichloropyrimidin-4-yl)-3,4-diphenylcyclobutyl]pyrimidine
CID 117985979
2,4-dichloro-6-[(1S,2S,3S,4R)-2-(2,6-dichloropyrimidin-4-yl)-3,4-diphenylcyclobutyl]pyrimidine
CID 117985980

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[3-(2,6-dichloropyrimidin-4-yl)-2,4-diphenylcyclobutyl]pyrimidine?
The IUPAC name of 2,4-dichloro-6-[3-(2,6-dichloropyrimidin-4-yl)-2,4-diphenylcyclobutyl]pyrimidine (CID 157167744) is 2,4-dichloro-6-[3-(2,6-dichloropyrimidin-4-yl)-2,4-diphenylcyclobutyl]pyrimidine.
What is the SMILES notation for 2,4-dichloro-6-[3-(2,6-dichloropyrimidin-4-yl)-2,4-diphenylcyclobutyl]pyrimidine?
The canonical SMILES for 2,4-dichloro-6-[3-(2,6-dichloropyrimidin-4-yl)-2,4-diphenylcyclobutyl]pyrimidine is Clc1cc(C2C(c3ccccc3)C(c3cc(Cl)nc(Cl)n3)C2c2ccccc2)nc(Cl)n1.Clc1cc(C2C(c3ccccc3)C(c3cc(Cl)nc(Cl)n3)C2c2ccccc2)nc(Cl)n1.Clc1cc(C2C(c3ccccc3)C(c3cc(Cl)nc(Cl)n3)C2c2ccccc2)nc(Cl)n1.Clc1cc(C2C(c3ccccc3)C(c3cc(Cl)nc(Cl)n3)C2c2ccccc2)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-[3-(2,6-dichloropyrimidin-4-yl)-2,4-diphenylcyclobutyl]pyrimidine?
The InChIKey is ANCMHTAQAXORAG-UHFFFAOYSA-N. The full InChI is InChI=1S/4C24H16Cl4N4/c4*25-17-11-15(29-23(27)31-17)21-19(13-7-3-1-4-8-13)22(16-12-18(26)32-24(28)30-16)20(21)14-9-5-2-6-10-14/h4*1-12,19-22H.
What are the key properties of 2,4-dichloro-6-[3-(2,6-dichloropyrimidin-4-yl)-2,4-diphenylcyclobutyl]pyrimidine?
2,4-dichloro-6-[3-(2,6-dichloropyrimidin-4-yl)-2,4-diphenylcyclobutyl]pyrimidine has a molecular weight of 2008.93 g/mol, XLogP of 29.32, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[3-(2,6-dichloropyrimidin-4-yl)-2,4-diphenylcyclobutyl]pyrimidine is sourced from PubChem (CID 157167744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).