2,4-dichloro-6-[(2R,4R)-3-(6-chloro-2-methylpyrimidin-4-yl)-2,4-bis(4-phenylphenyl)cyclobutyl]pyrimidine;2,4-dichloro-6-[(2R,4R)-3-(6-chloro-2-methylpyrimidin-4-yl)-2,4-dithiophen-2-ylcyclobutyl]pyrimidine;2-[(1R,2S,3R,4S)-2,3-diphenyl-4-pyrazin-2-ylcyclobutyl]pyrazine;2-(2,4-diphenyl-3-pyrazin-2-ylcyclobutyl)pyrazine

C106H82Cl6N16S2 — CID 159038159

IUPAC2,4-dichloro-6-[(2R,4R)-3-(6-chloro-2-methylpyrimidin-4-yl)-2,4-bis(4-phenylphenyl)cyclobutyl]pyrimidine;2,4-dichloro-6-[(2R,4R)-3-(6-chloro-2-methylpyrimidin-4-yl)-2,4-dithiophen-2-ylcyclobutyl]pyrimidine;2-[(1R,2S,3R,4S)-2,3-diphenyl-4-pyrazin-2-ylcyclobutyl]pyrazine;2-(2,4-diphenyl-3-pyrazin-2-ylcyclobutyl)pyrazine
SMILESCc1nc(Cl)cc(C2[C@@H](c3ccc(-c4ccccc4)cc3)C(c3cc(Cl)nc(Cl)n3)[C@@H]2c2ccc(-c3ccccc3)cc2)n1.Cc1nc(Cl)cc(C2[C@@H](c3cccs3)C(c3cc(Cl)nc(Cl)n3)[C@@H]2c2cccs2)n1.c1ccc(C2C(c3cnccn3)C(c3ccccc3)C2c2cnccn2)cc1.c1ccc([C@@H]2[C@H](c3ccccc3)[C@@H](c3cnccn3)[C@H]2c2cnccn2)cc1
InChIInChI=1S/C37H27Cl3N4.2C24H20N4.C21H15Cl3N4S2/c1-22-41-29(20-31(38)42-22)35-33(27-16-12-25(13-17-27)23-8-4-2-5-9-23)36(30-21-32(39)44-37(40)43-30)34(35)28-18-14-26(15-19-28)24-10-6-3-7-11-24;1-3-7-17(8-4-1)21-23(19-15-25-11-13-27-19)22(18-9-5-2-6-10-18)24(21)20-16-26-12-14-28-20;1-3-7-17(8-4-1)21-22(18-9-5-2-6-10-18)24(20-16-26-12-14-28-20)23(21)19-15-25-11-13-27-19;1-10-25-11(8-15(22)26-10)17-19(13-4-2-6-29-13)18(20(17)14-5-3-7-30-14)12-9-16(23)28-21(24)27-12/h2-21,33-36H,1H3;2*1-16,21-24H;2-9,17-20H,1H3/t33-,34-,35?,36?;;21-,22+,23+,24-;17?,18?,19-,20-/m1..1/s1
InChIKeyJVSDQKFWAAVECJ-GQEQFTCKSA-N
MW1856.79 g/mol
LogP26.86
Rot. Bonds18

About 2,4-dichloro-6-[(2R,4R)-3-(6-chloro-2-methylpyrimidin-4-yl)-2,4-bis(4-phenylphenyl)cyclobutyl]pyrimidine;2,4-dichloro-6-[(2R,4R)-3-(6-chloro-2-methylpyrimidin-4-yl)-2,4-dithiophen-2-ylcyclobutyl]pyrimidine;2-[(1R,2S,3R,4S)-2,3-diphenyl-4-pyrazin-2-ylcyclobutyl]pyrazine;2-(2,4-diphenyl-3-pyrazin-2-ylcyclobutyl)pyrazine

2,4-dichloro-6-[(2R,4R)-3-(6-chloro-2-methylpyrimidin-4-yl)-2,4-bis(4-phenylphenyl)cyclobutyl]pyrimidine;2,4-dichloro-6-[(2R,4R)-3-(6-chloro-2-methylpyrimidin-4-yl)-2,4-dithiophen-2-ylcyclobutyl]pyrimidine;2-[(1R,2S,3R,4S)-2,3-diphenyl-4-pyrazin-2-ylcyclobutyl]pyrazine;2-(2,4-diphenyl-3-pyrazin-2-ylcyclobutyl)pyrazine (PubChem CID 159038159) has the molecular formula C106H82Cl6N16S2 and a molecular weight of 1856.79 g/mol. Its IUPAC name is 2,4-dichloro-6-[(2R,4R)-3-(6-chloro-2-methylpyrimidin-4-yl)-2,4-bis(4-phenylphenyl)cyclobutyl]pyrimidine;2,4-dichloro-6-[(2R,4R)-3-(6-chloro-2-methylpyrimidin-4-yl)-2,4-dithiophen-2-ylcyclobutyl]pyrimidine;2-[(1R,2S,3R,4S)-2,3-diphenyl-4-pyrazin-2-ylcyclobutyl]pyrazine;2-(2,4-diphenyl-3-pyrazin-2-ylcyclobutyl)pyrazine.

Molecular Properties

Compound Name2,4-dichloro-6-[(2R,4R)-3-(6-chloro-2-methylpyrimidin-4-yl)-2,4-bis(4-phenylphenyl)cyclobutyl]pyrimidine;2,4-dichloro-6-[(2R,4R)-3-(6-chloro-2-methylpyrimidin-4-yl)-2,4-dithiophen-2-ylcyclobutyl]pyrimidine;2-[(1R,2S,3R,4S)-2,3-diphenyl-4-pyrazin-2-ylcyclobutyl]pyrazine;2-(2,4-diphenyl-3-pyrazin-2-ylcyclobutyl)pyrazine
PubChem CID159038159
Molecular FormulaC106H82Cl6N16S2
Molecular Weight1856.79 g/mol
Exact Mass1852.45
IUPAC Name2,4-dichloro-6-[(2R,4R)-3-(6-chloro-2-methylpyrimidin-4-yl)-2,4-bis(4-phenylphenyl)cyclobutyl]pyrimidine;2,4-dichloro-6-[(2R,4R)-3-(6-chloro-2-methylpyrimidin-4-yl)-2,4-dithiophen-2-ylcyclobutyl]pyrimidine;2-[(1R,2S,3R,4S)-2,3-diphenyl-4-pyrazin-2-ylcyclobutyl]pyrazine;2-(2,4-diphenyl-3-pyrazin-2-ylcyclobutyl)pyrazine
SMILESCc1nc(Cl)cc(C2[C@@H](c3ccc(-c4ccccc4)cc3)C(c3cc(Cl)nc(Cl)n3)[C@@H]2c2ccc(-c3ccccc3)cc2)n1.Cc1nc(Cl)cc(C2[C@@H](c3cccs3)C(c3cc(Cl)nc(Cl)n3)[C@@H]2c2cccs2)n1.c1ccc(C2C(c3cnccn3)C(c3ccccc3)C2c2cnccn2)cc1.c1ccc([C@@H]2[C@H](c3ccccc3)[C@@H](c3cnccn3)[C@H]2c2cnccn2)cc1
InChIInChI=1S/C37H27Cl3N4.2C24H20N4.C21H15Cl3N4S2/c1-22-41-29(20-31(38)42-22)35-33(27-16-12-25(13-17-27)23-8-4-2-5-9-23)36(30-21-32(39)44-37(40)43-30)34(35)28-18-14-26(15-19-28)24-10-6-3-7-11-24;1-3-7-17(8-4-1)21-23(19-15-25-11-13-27-19)22(18-9-5-2-6-10-18)24(21)20-16-26-12-14-28-20;1-3-7-17(8-4-1)21-22(18-9-5-2-6-10-18)24(20-16-26-12-14-28-20)23(21)19-15-25-11-13-27-19;1-10-25-11(8-15(22)26-10)17-19(13-4-2-6-29-13)18(20(17)14-5-3-7-30-14)12-9-16(23)28-21(24)27-12/h2-21,33-36H,1H3;2*1-16,21-24H;2-9,17-20H,1H3/t33-,34-,35?,36?;;21-,22+,23+,24-;17?,18?,19-,20-/m1..1/s1
InChIKeyJVSDQKFWAAVECJ-GQEQFTCKSA-N
XLogP26.86
TPSA206.24 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001856.79
LogP ≤ 526.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 2,4-dichloro-6-[(2R,4R)-3-(6-chloro-2-methylpyrimidin-4-yl)-2,4-bis(4-phenylphenyl)cyclobutyl]pyrimidine;2,4-dichloro-6-[(2R,4R)-3-(6-chloro-2-methylpyrimidin-4-yl)-2,4-dithiophen-2-ylcyclobutyl]pyrimidine;2-[(1R,2S,3R,4S)-2,3-diphenyl-4-pyrazin-2-ylcyclobutyl]pyrazine;2-(2,4-diphenyl-3-pyrazin-2-ylcyclobutyl)pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-[(2R,4R)-3-(2,6-dimethylpyrimidin-4-yl)-2,4-diphenylcyclobutyl]-6-methylpyrimidine
CID 122470165
2,4-dichloro-6-[(2R)-2-(6-chloro-2-methylpyrimidin-4-yl)cyclobutyl]pyrimidine
CID 144818047
2,4-dichloro-6-phenylpyrimidine;ethane
CID 143206221
4-(3,5-diphenylphenyl)-2-methyl-6-(4-pyridin-3-ylphenyl)pyrimidine;2-methyl-4,6-dipyridin-4-ylpyrimidine;2-methyl-4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine;2-methyl-4-phenyl-6-pyridin-4-ylpyrimidine;2-methyl-4-pyridin-4-yl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 159471175
2-chloro-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 142751330
2-methyl-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-methyl-4-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine;2-methyl-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-methyl-4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 162225760
2-methyl-4-(3-phenylphenyl)-6-pyridin-4-yl-1,3,5-triazine;2-methyl-4-(4-phenylphenyl)-6-pyridin-4-yl-1,3,5-triazine;2-methyl-4-phenyl-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2-methyl-4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine
CID 160549129
azane;4-phenylpyridine
CID 175775455
6-chloro-2-methyl-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 108779955
4-(4-methylphenyl)-2-(4-phenyl-3-pyridinyl)-1,3-thiazole
CID 90735429
2-methyl-4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130261193
4-[4-[2,4-diphenyl-5-(4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine
CID 67990612

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(2R,4R)-3-(6-chloro-2-methylpyrimidin-4-yl)-2,4-bis(4-phenylphenyl)cyclobutyl]pyrimidine;2,4-dichloro-6-[(2R,4R)-3-(6-chloro-2-methylpyrimidin-4-yl)-2,4-dithiophen-2-ylcyclobutyl]pyrimidine;2-[(1R,2S,3R,4S)-2,3-diphenyl-4-pyrazin-2-ylcyclobutyl]pyrazine;2-(2,4-diphenyl-3-pyrazin-2-ylcyclobutyl)pyrazine?
The IUPAC name of 2,4-dichloro-6-[(2R,4R)-3-(6-chloro-2-methylpyrimidin-4-yl)-2,4-bis(4-phenylphenyl)cyclobutyl]pyrimidine;2,4-dichloro-6-[(2R,4R)-3-(6-chloro-2-methylpyrimidin-4-yl)-2,4-dithiophen-2-ylcyclobutyl]pyrimidine;2-[(1R,2S,3R,4S)-2,3-diphenyl-4-pyrazin-2-ylcyclobutyl]pyrazine;2-(2,4-diphenyl-3-pyrazin-2-ylcyclobutyl)pyrazine (CID 159038159) is 2,4-dichloro-6-[(2R,4R)-3-(6-chloro-2-methylpyrimidin-4-yl)-2,4-bis(4-phenylphenyl)cyclobutyl]pyrimidine;2,4-dichloro-6-[(2R,4R)-3-(6-chloro-2-methylpyrimidin-4-yl)-2,4-dithiophen-2-ylcyclobutyl]pyrimidine;2-[(1R,2S,3R,4S)-2,3-diphenyl-4-pyrazin-2-ylcyclobutyl]pyrazine;2-(2,4-diphenyl-3-pyrazin-2-ylcyclobutyl)pyrazine.
What is the SMILES notation for 2,4-dichloro-6-[(2R,4R)-3-(6-chloro-2-methylpyrimidin-4-yl)-2,4-bis(4-phenylphenyl)cyclobutyl]pyrimidine;2,4-dichloro-6-[(2R,4R)-3-(6-chloro-2-methylpyrimidin-4-yl)-2,4-dithiophen-2-ylcyclobutyl]pyrimidine;2-[(1R,2S,3R,4S)-2,3-diphenyl-4-pyrazin-2-ylcyclobutyl]pyrazine;2-(2,4-diphenyl-3-pyrazin-2-ylcyclobutyl)pyrazine?
The canonical SMILES for 2,4-dichloro-6-[(2R,4R)-3-(6-chloro-2-methylpyrimidin-4-yl)-2,4-bis(4-phenylphenyl)cyclobutyl]pyrimidine;2,4-dichloro-6-[(2R,4R)-3-(6-chloro-2-methylpyrimidin-4-yl)-2,4-dithiophen-2-ylcyclobutyl]pyrimidine;2-[(1R,2S,3R,4S)-2,3-diphenyl-4-pyrazin-2-ylcyclobutyl]pyrazine;2-(2,4-diphenyl-3-pyrazin-2-ylcyclobutyl)pyrazine is Cc1nc(Cl)cc(C2[C@@H](c3ccc(-c4ccccc4)cc3)C(c3cc(Cl)nc(Cl)n3)[C@@H]2c2ccc(-c3ccccc3)cc2)n1.Cc1nc(Cl)cc(C2[C@@H](c3cccs3)C(c3cc(Cl)nc(Cl)n3)[C@@H]2c2cccs2)n1.c1ccc(C2C(c3cnccn3)C(c3ccccc3)C2c2cnccn2)cc1.c1ccc([C@@H]2[C@H](c3ccccc3)[C@@H](c3cnccn3)[C@H]2c2cnccn2)cc1.
What is the InChIKey of 2,4-dichloro-6-[(2R,4R)-3-(6-chloro-2-methylpyrimidin-4-yl)-2,4-bis(4-phenylphenyl)cyclobutyl]pyrimidine;2,4-dichloro-6-[(2R,4R)-3-(6-chloro-2-methylpyrimidin-4-yl)-2,4-dithiophen-2-ylcyclobutyl]pyrimidine;2-[(1R,2S,3R,4S)-2,3-diphenyl-4-pyrazin-2-ylcyclobutyl]pyrazine;2-(2,4-diphenyl-3-pyrazin-2-ylcyclobutyl)pyrazine?
The InChIKey is JVSDQKFWAAVECJ-GQEQFTCKSA-N. The full InChI is InChI=1S/C37H27Cl3N4.2C24H20N4.C21H15Cl3N4S2/c1-22-41-29(20-31(38)42-22)35-33(27-16-12-25(13-17-27)23-8-4-2-5-9-23)36(30-21-32(39)44-37(40)43-30)34(35)28-18-14-26(15-19-28)24-10-6-3-7-11-24;1-3-7-17(8-4-1)21-23(19-15-25-11-13-27-19)22(18-9-5-2-6-10-18)24(21)20-16-26-12-14-28-20;1-3-7-17(8-4-1)21-22(18-9-5-2-6-10-18)24(20-16-26-12-14-28-20)23(21)19-15-25-11-13-27-19;1-10-25-11(8-15(22)26-10)17-19(13-4-2-6-29-13)18(20(17)14-5-3-7-30-14)12-9-16(23)28-21(24)27-12/h2-21,33-36H,1H3;2*1-16,21-24H;2-9,17-20H,1H3/t33-,34-,35?,36?;;21-,22+,23+,24-;17?,18?,19-,20-/m1..1/s1.
What are the key properties of 2,4-dichloro-6-[(2R,4R)-3-(6-chloro-2-methylpyrimidin-4-yl)-2,4-bis(4-phenylphenyl)cyclobutyl]pyrimidine;2,4-dichloro-6-[(2R,4R)-3-(6-chloro-2-methylpyrimidin-4-yl)-2,4-dithiophen-2-ylcyclobutyl]pyrimidine;2-[(1R,2S,3R,4S)-2,3-diphenyl-4-pyrazin-2-ylcyclobutyl]pyrazine;2-(2,4-diphenyl-3-pyrazin-2-ylcyclobutyl)pyrazine?
2,4-dichloro-6-[(2R,4R)-3-(6-chloro-2-methylpyrimidin-4-yl)-2,4-bis(4-phenylphenyl)cyclobutyl]pyrimidine;2,4-dichloro-6-[(2R,4R)-3-(6-chloro-2-methylpyrimidin-4-yl)-2,4-dithiophen-2-ylcyclobutyl]pyrimidine;2-[(1R,2S,3R,4S)-2,3-diphenyl-4-pyrazin-2-ylcyclobutyl]pyrazine;2-(2,4-diphenyl-3-pyrazin-2-ylcyclobutyl)pyrazine has a molecular weight of 1856.79 g/mol, XLogP of 26.86, 18 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(2R,4R)-3-(6-chloro-2-methylpyrimidin-4-yl)-2,4-bis(4-phenylphenyl)cyclobutyl]pyrimidine;2,4-dichloro-6-[(2R,4R)-3-(6-chloro-2-methylpyrimidin-4-yl)-2,4-dithiophen-2-ylcyclobutyl]pyrimidine;2-[(1R,2S,3R,4S)-2,3-diphenyl-4-pyrazin-2-ylcyclobutyl]pyrazine;2-(2,4-diphenyl-3-pyrazin-2-ylcyclobutyl)pyrazine is sourced from PubChem (CID 159038159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).