4-chloro-6-[3-(6-chloropyrimidin-4-yl)-2,4-diphenylcyclobutyl]pyrimidine;2-chloro-4-[(2R,4R)-3-(2,6-dimethylpyrimidin-4-yl)-2,4-diphenylcyclobutyl]-6-methylpyrimidine;2-[(1S,2R,3R,4R)-2,3-diphenyl-4-pyridin-2-ylcyclobutyl]pyridine;2-(2,4-diphenyl-3-pyridin-2-ylcyclobutyl)pyridine

C103H87Cl3N12 — CID 157189601

IUPAC4-chloro-6-[3-(6-chloropyrimidin-4-yl)-2,4-diphenylcyclobutyl]pyrimidine;2-chloro-4-[(2R,4R)-3-(2,6-dimethylpyrimidin-4-yl)-2,4-diphenylcyclobutyl]-6-methylpyrimidine;2-[(1S,2R,3R,4R)-2,3-diphenyl-4-pyridin-2-ylcyclobutyl]pyridine;2-(2,4-diphenyl-3-pyridin-2-ylcyclobutyl)pyridine
SMILESCc1cc(C2[C@@H](c3ccccc3)C(c3cc(C)nc(Cl)n3)[C@@H]2c2ccccc2)nc(C)n1.Clc1cc(C2C(c3ccccc3)C(c3cc(Cl)ncn3)C2c2ccccc2)ncn1.c1ccc(C2C(c3ccccn3)C(c3ccccc3)C2c2ccccn2)cc1.c1ccc([C@@H]2[C@@H](c3ccccc3)[C@H](c3ccccn3)[C@@H]2c2ccccn2)cc1
InChIInChI=1S/C27H25ClN4.2C26H22N2.C24H18Cl2N4/c1-16-14-21(31-18(3)29-16)25-23(19-10-6-4-7-11-19)26(22-15-17(2)30-27(28)32-22)24(25)20-12-8-5-9-13-20;1-3-11-19(12-4-1)23-25(21-15-7-9-17-27-21)24(20-13-5-2-6-14-20)26(23)22-16-8-10-18-28-22;1-3-11-19(12-4-1)23-24(20-13-5-2-6-14-20)26(22-16-8-10-18-28-22)25(23)21-15-7-9-17-27-21;25-19-11-17(27-13-29-19)23-21(15-7-3-1-4-8-15)24(18-12-20(26)30-14-28-18)22(23)16-9-5-2-6-10-16/h4-15,23-26H,1-3H3;2*1-18,23-26H;1-14,21-24H/t23-,24-,25?,26?;;23-,24-,25-,26+;/m1.1./s1
InChIKeyAPNQMRJKZDYPCL-CADIFYFGSA-N
MW1599.27 g/mol
LogP24.17
Rot. Bonds16

About 4-chloro-6-[3-(6-chloropyrimidin-4-yl)-2,4-diphenylcyclobutyl]pyrimidine;2-chloro-4-[(2R,4R)-3-(2,6-dimethylpyrimidin-4-yl)-2,4-diphenylcyclobutyl]-6-methylpyrimidine;2-[(1S,2R,3R,4R)-2,3-diphenyl-4-pyridin-2-ylcyclobutyl]pyridine;2-(2,4-diphenyl-3-pyridin-2-ylcyclobutyl)pyridine

4-chloro-6-[3-(6-chloropyrimidin-4-yl)-2,4-diphenylcyclobutyl]pyrimidine;2-chloro-4-[(2R,4R)-3-(2,6-dimethylpyrimidin-4-yl)-2,4-diphenylcyclobutyl]-6-methylpyrimidine;2-[(1S,2R,3R,4R)-2,3-diphenyl-4-pyridin-2-ylcyclobutyl]pyridine;2-(2,4-diphenyl-3-pyridin-2-ylcyclobutyl)pyridine (PubChem CID 157189601) has the molecular formula C103H87Cl3N12 and a molecular weight of 1599.27 g/mol. Its IUPAC name is 4-chloro-6-[3-(6-chloropyrimidin-4-yl)-2,4-diphenylcyclobutyl]pyrimidine;2-chloro-4-[(2R,4R)-3-(2,6-dimethylpyrimidin-4-yl)-2,4-diphenylcyclobutyl]-6-methylpyrimidine;2-[(1S,2R,3R,4R)-2,3-diphenyl-4-pyridin-2-ylcyclobutyl]pyridine;2-(2,4-diphenyl-3-pyridin-2-ylcyclobutyl)pyridine.

Molecular Properties

Compound Name4-chloro-6-[3-(6-chloropyrimidin-4-yl)-2,4-diphenylcyclobutyl]pyrimidine;2-chloro-4-[(2R,4R)-3-(2,6-dimethylpyrimidin-4-yl)-2,4-diphenylcyclobutyl]-6-methylpyrimidine;2-[(1S,2R,3R,4R)-2,3-diphenyl-4-pyridin-2-ylcyclobutyl]pyridine;2-(2,4-diphenyl-3-pyridin-2-ylcyclobutyl)pyridine
PubChem CID157189601
Molecular FormulaC103H87Cl3N12
Molecular Weight1599.27 g/mol
Exact Mass1596.62
IUPAC Name4-chloro-6-[3-(6-chloropyrimidin-4-yl)-2,4-diphenylcyclobutyl]pyrimidine;2-chloro-4-[(2R,4R)-3-(2,6-dimethylpyrimidin-4-yl)-2,4-diphenylcyclobutyl]-6-methylpyrimidine;2-[(1S,2R,3R,4R)-2,3-diphenyl-4-pyridin-2-ylcyclobutyl]pyridine;2-(2,4-diphenyl-3-pyridin-2-ylcyclobutyl)pyridine
SMILESCc1cc(C2[C@@H](c3ccccc3)C(c3cc(C)nc(Cl)n3)[C@@H]2c2ccccc2)nc(C)n1.Clc1cc(C2C(c3ccccc3)C(c3cc(Cl)ncn3)C2c2ccccc2)ncn1.c1ccc(C2C(c3ccccn3)C(c3ccccc3)C2c2ccccn2)cc1.c1ccc([C@@H]2[C@@H](c3ccccc3)[C@H](c3ccccn3)[C@@H]2c2ccccn2)cc1
InChIInChI=1S/C27H25ClN4.2C26H22N2.C24H18Cl2N4/c1-16-14-21(31-18(3)29-16)25-23(19-10-6-4-7-11-19)26(22-15-17(2)30-27(28)32-22)24(25)20-12-8-5-9-13-20;1-3-11-19(12-4-1)23-25(21-15-7-9-17-27-21)24(20-13-5-2-6-14-20)26(23)22-16-8-10-18-28-22;1-3-11-19(12-4-1)23-24(20-13-5-2-6-14-20)26(22-16-8-10-18-28-22)25(23)21-15-7-9-17-27-21;25-19-11-17(27-13-29-19)23-21(15-7-3-1-4-8-15)24(18-12-20(26)30-14-28-18)22(23)16-9-5-2-6-10-16/h4-15,23-26H,1-3H3;2*1-18,23-26H;1-14,21-24H/t23-,24-,25?,26?;;23-,24-,25-,26+;/m1.1./s1
InChIKeyAPNQMRJKZDYPCL-CADIFYFGSA-N
XLogP24.17
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001599.27
LogP ≤ 524.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-chloro-6-[3-(6-chloropyrimidin-4-yl)-2,4-diphenylcyclobutyl]pyrimidine;2-chloro-4-[(2R,4R)-3-(2,6-dimethylpyrimidin-4-yl)-2,4-diphenylcyclobutyl]-6-methylpyrimidine;2-[(1S,2R,3R,4R)-2,3-diphenyl-4-pyridin-2-ylcyclobutyl]pyridine;2-(2,4-diphenyl-3-pyridin-2-ylcyclobutyl)pyridine with MolForge

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Related Compounds

5-(3-Chloro-phenyl)-7-(6-dimethylamino-pyridin-3-yl)-6-phenyl-pyrido[2,3-d]pyrimidin-4-ylamine
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4-(2-Chloro-4-fluorophenyl)-2-methyl-5-(2-pyridin-3-yl-4-pyridinyl)pyrimidine
CID 118726575
4-(2,4-Dichlorophenyl)-2-methyl-5-(2-pyridin-3-yl-4-pyridinyl)pyrimidine
CID 118726576
2-(4-Benzylpiperazin-1-yl)-4-(4-chlorophenyl)-6-pyridin-4-ylpyrimidine
CID 44399540
B3PyMPM
CID 58556437
4,6-Bis(3,5-di(pyridin-4-yl)phenyl)-2-methylpyrimidine
CID 67967165
4,6-Bis(3,5-di(pyridin-4-yl)phenyl)-2-phenylpyrimidine
CID 89441393
2-Phenyl-4,6-bis(3,5-dipyridylphenyl)pyrimidine
CID 101791711
4,6-Bis(3,5-di(pyridin-3-yl)phenyl)-2-(pyridin-3-yl)pyrimidine
CID 102345540
2,4,6-Tris(3'-(pyridin-2yl)biphenyl-3-yl)-1,3,5-triazine
CID 129849643
4-Chloro-5-(4-fluorophenyl)-2,6-bis-(4-pyridyl)-pyrimidine
CID 23000487
2-(5-Chloro-2-fluorophenyl)-4-(2,7-naphthyridin-4-yl)-1,8-naphthyridine
CID 56592039

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[3-(6-chloropyrimidin-4-yl)-2,4-diphenylcyclobutyl]pyrimidine;2-chloro-4-[(2R,4R)-3-(2,6-dimethylpyrimidin-4-yl)-2,4-diphenylcyclobutyl]-6-methylpyrimidine;2-[(1S,2R,3R,4R)-2,3-diphenyl-4-pyridin-2-ylcyclobutyl]pyridine;2-(2,4-diphenyl-3-pyridin-2-ylcyclobutyl)pyridine?
The IUPAC name of 4-chloro-6-[3-(6-chloropyrimidin-4-yl)-2,4-diphenylcyclobutyl]pyrimidine;2-chloro-4-[(2R,4R)-3-(2,6-dimethylpyrimidin-4-yl)-2,4-diphenylcyclobutyl]-6-methylpyrimidine;2-[(1S,2R,3R,4R)-2,3-diphenyl-4-pyridin-2-ylcyclobutyl]pyridine;2-(2,4-diphenyl-3-pyridin-2-ylcyclobutyl)pyridine (CID 157189601) is 4-chloro-6-[3-(6-chloropyrimidin-4-yl)-2,4-diphenylcyclobutyl]pyrimidine;2-chloro-4-[(2R,4R)-3-(2,6-dimethylpyrimidin-4-yl)-2,4-diphenylcyclobutyl]-6-methylpyrimidine;2-[(1S,2R,3R,4R)-2,3-diphenyl-4-pyridin-2-ylcyclobutyl]pyridine;2-(2,4-diphenyl-3-pyridin-2-ylcyclobutyl)pyridine.
What is the SMILES notation for 4-chloro-6-[3-(6-chloropyrimidin-4-yl)-2,4-diphenylcyclobutyl]pyrimidine;2-chloro-4-[(2R,4R)-3-(2,6-dimethylpyrimidin-4-yl)-2,4-diphenylcyclobutyl]-6-methylpyrimidine;2-[(1S,2R,3R,4R)-2,3-diphenyl-4-pyridin-2-ylcyclobutyl]pyridine;2-(2,4-diphenyl-3-pyridin-2-ylcyclobutyl)pyridine?
The canonical SMILES for 4-chloro-6-[3-(6-chloropyrimidin-4-yl)-2,4-diphenylcyclobutyl]pyrimidine;2-chloro-4-[(2R,4R)-3-(2,6-dimethylpyrimidin-4-yl)-2,4-diphenylcyclobutyl]-6-methylpyrimidine;2-[(1S,2R,3R,4R)-2,3-diphenyl-4-pyridin-2-ylcyclobutyl]pyridine;2-(2,4-diphenyl-3-pyridin-2-ylcyclobutyl)pyridine is Cc1cc(C2[C@@H](c3ccccc3)C(c3cc(C)nc(Cl)n3)[C@@H]2c2ccccc2)nc(C)n1.Clc1cc(C2C(c3ccccc3)C(c3cc(Cl)ncn3)C2c2ccccc2)ncn1.c1ccc(C2C(c3ccccn3)C(c3ccccc3)C2c2ccccn2)cc1.c1ccc([C@@H]2[C@@H](c3ccccc3)[C@H](c3ccccn3)[C@@H]2c2ccccn2)cc1.
What is the InChIKey of 4-chloro-6-[3-(6-chloropyrimidin-4-yl)-2,4-diphenylcyclobutyl]pyrimidine;2-chloro-4-[(2R,4R)-3-(2,6-dimethylpyrimidin-4-yl)-2,4-diphenylcyclobutyl]-6-methylpyrimidine;2-[(1S,2R,3R,4R)-2,3-diphenyl-4-pyridin-2-ylcyclobutyl]pyridine;2-(2,4-diphenyl-3-pyridin-2-ylcyclobutyl)pyridine?
The InChIKey is APNQMRJKZDYPCL-CADIFYFGSA-N. The full InChI is InChI=1S/C27H25ClN4.2C26H22N2.C24H18Cl2N4/c1-16-14-21(31-18(3)29-16)25-23(19-10-6-4-7-11-19)26(22-15-17(2)30-27(28)32-22)24(25)20-12-8-5-9-13-20;1-3-11-19(12-4-1)23-25(21-15-7-9-17-27-21)24(20-13-5-2-6-14-20)26(23)22-16-8-10-18-28-22;1-3-11-19(12-4-1)23-24(20-13-5-2-6-14-20)26(22-16-8-10-18-28-22)25(23)21-15-7-9-17-27-21;25-19-11-17(27-13-29-19)23-21(15-7-3-1-4-8-15)24(18-12-20(26)30-14-28-18)22(23)16-9-5-2-6-10-16/h4-15,23-26H,1-3H3;2*1-18,23-26H;1-14,21-24H/t23-,24-,25?,26?;;23-,24-,25-,26+;/m1.1./s1.
What are the key properties of 4-chloro-6-[3-(6-chloropyrimidin-4-yl)-2,4-diphenylcyclobutyl]pyrimidine;2-chloro-4-[(2R,4R)-3-(2,6-dimethylpyrimidin-4-yl)-2,4-diphenylcyclobutyl]-6-methylpyrimidine;2-[(1S,2R,3R,4R)-2,3-diphenyl-4-pyridin-2-ylcyclobutyl]pyridine;2-(2,4-diphenyl-3-pyridin-2-ylcyclobutyl)pyridine?
4-chloro-6-[3-(6-chloropyrimidin-4-yl)-2,4-diphenylcyclobutyl]pyrimidine;2-chloro-4-[(2R,4R)-3-(2,6-dimethylpyrimidin-4-yl)-2,4-diphenylcyclobutyl]-6-methylpyrimidine;2-[(1S,2R,3R,4R)-2,3-diphenyl-4-pyridin-2-ylcyclobutyl]pyridine;2-(2,4-diphenyl-3-pyridin-2-ylcyclobutyl)pyridine has a molecular weight of 1599.27 g/mol, XLogP of 24.17, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[3-(6-chloropyrimidin-4-yl)-2,4-diphenylcyclobutyl]pyrimidine;2-chloro-4-[(2R,4R)-3-(2,6-dimethylpyrimidin-4-yl)-2,4-diphenylcyclobutyl]-6-methylpyrimidine;2-[(1S,2R,3R,4R)-2,3-diphenyl-4-pyridin-2-ylcyclobutyl]pyridine;2-(2,4-diphenyl-3-pyridin-2-ylcyclobutyl)pyridine is sourced from PubChem (CID 157189601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).