2-chloro-4,6-diphenylpyrimidine;4-chloro-2,6-diphenylpyrimidine;3-(2,6-diphenylpyrimidin-4-yl)-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;2-[3-(2,6-diphenylpyrimidin-4-yl)-2-fluoro-5-(trifluoromethyl)phenyl]-4,6-diphenylpyrimidine;4-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]-2,6-diphenylpyrimidine;2-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C148H122B4Cl2F13N13O8 — CID 161176778

About 2-chloro-4,6-diphenylpyrimidine;4-chloro-2,6-diphenylpyrimidine;3-(2,6-diphenylpyrimidin-4-yl)-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;2-[3-(2,6-diphenylpyrimidin-4-yl)-2-fluoro-5-(trifluoromethyl)phenyl]-4,6-diphenylpyrimidine;4-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]-2,6-diphenylpyrimidine;2-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-chloro-4,6-diphenylpyrimidine;4-chloro-2,6-diphenylpyrimidine;3-(2,6-diphenylpyrimidin-4-yl)-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;2-[3-(2,6-diphenylpyrimidin-4-yl)-2-fluoro-5-(trifluoromethyl)phenyl]-4,6-diphenylpyrimidine;4-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]-2,6-diphenylpyrimidine;2-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 161176778) has the molecular formula C148H122B4Cl2F13N13O8 and a molecular weight of 2571.81 g/mol. Its IUPAC name is 2-chloro-4,6-diphenylpyrimidine;4-chloro-2,6-diphenylpyrimidine;3-(2,6-diphenylpyrimidin-4-yl)-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;2-[3-(2,6-diphenylpyrimidin-4-yl)-2-fluoro-5-(trifluoromethyl)phenyl]-4,6-diphenylpyrimidine;4-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]-2,6-diphenylpyrimidine;2-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2-chloro-4,6-diphenylpyrimidine;4-chloro-2,6-diphenylpyrimidine;3-(2,6-diphenylpyrimidin-4-yl)-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;2-[3-(2,6-diphenylpyrimidin-4-yl)-2-fluoro-5-(trifluoromethyl)phenyl]-4,6-diphenylpyrimidine;4-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]-2,6-diphenylpyrimidine;2-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• PubChem CID: 161176778
• Molecular Formula: C148H122B4Cl2F13N13O8
• Molecular Weight: 2571.81 g/mol
• Exact Mass: 2569.91
• IUPAC Name: 2-chloro-4,6-diphenylpyrimidine;4-chloro-2,6-diphenylpyrimidine;3-(2,6-diphenylpyrimidin-4-yl)-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;2-[3-(2,6-diphenylpyrimidin-4-yl)-2-fluoro-5-(trifluoromethyl)phenyl]-4,6-diphenylpyrimidine;4-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]-2,6-diphenylpyrimidine;2-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(c2cc(C#N)cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c2F)OC1(C)C.CC1(C)OB(c2cc(C(F)(F)F)cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c2F)OC1(C)C.CC1(C)OB(c2cc(C(F)(F)F)cc(B3OC(C)(C)C(C)(C)O3)c2F)OC1(C)C.Clc1cc(-c2ccccc2)nc(-c2ccccc2)n1.Clc1nc(-c2ccccc2)cc(-c2ccccc2)n1.Fc1c(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc(C(F)(F)F)cc1-c1nc(-c2ccccc2)cc(-c2ccccc2)n1
• InChI: InChI=1S/C39H24F4N4.C29H25BF4N2O2.C29H25BFN3O2.C19H26B2F4O4.2C16H11ClN2/c40-36-30(35-24-34(27-17-9-3-10-18-27)44-37(47-35)28-19-11-4-12-20-28)21-29(39(41,42)43)22-31(36)38-45-32(25-13-5-1-6-14-25)23-33(46-38)26-15-7-2-8-16-26;1-27(2)28(3,4)38-30(37-27)22-16-20(29(32,33)34)15-21(25(22)31)24-17-23(18-11-7-5-8-12-18)35-26(36-24)19-13-9-6-10-14-19;1-28(2)29(3,4)36-30(35-28)23-16-19(18-32)15-22(26(23)31)25-17-24(20-11-7-5-8-12-20)33-27(34-25)21-13-9-6-10-14-21;1-15(2)16(3,4)27-20(26-15)12-9-11(19(23,24)25)10-13(14(12)22)21-28-17(5,6)18(7,8)29-21;17-15-11-14(12-7-3-1-4-8-12)18-16(19-15)13-9-5-2-6-10-13;17-16-18-14(12-7-3-1-4-8-12)11-15(19-16)13-9-5-2-6-10-13/h1-24H;5-17H,1-4H3;5-17H,1-4H3;9-10H,1-8H3;2*1-11H
• InChIKey: URXMPGDAIFXVRZ-UHFFFAOYSA-N
• XLogP: 35.52
• TPSA: 252.31 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 20
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2571.81
LogP ≤ 5	35.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-diphenylpyrimidine;4-chloro-2,6-diphenylpyrimidine;3-(2,6-diphenylpyrimidin-4-yl)-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;2-[3-(2,6-diphenylpyrimidin-4-yl)-2-fluoro-5-(trifluoromethyl)phenyl]-4,6-diphenylpyrimidine;4-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]-2,6-diphenylpyrimidine;2-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The IUPAC name of 2-chloro-4,6-diphenylpyrimidine;4-chloro-2,6-diphenylpyrimidine;3-(2,6-diphenylpyrimidin-4-yl)-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;2-[3-(2,6-diphenylpyrimidin-4-yl)-2-fluoro-5-(trifluoromethyl)phenyl]-4,6-diphenylpyrimidine;4-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]-2,6-diphenylpyrimidine;2-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 161176778) is 2-chloro-4,6-diphenylpyrimidine;4-chloro-2,6-diphenylpyrimidine;3-(2,6-diphenylpyrimidin-4-yl)-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;2-[3-(2,6-diphenylpyrimidin-4-yl)-2-fluoro-5-(trifluoromethyl)phenyl]-4,6-diphenylpyrimidine;4-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]-2,6-diphenylpyrimidine;2-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

What is the SMILES notation for 2-chloro-4,6-diphenylpyrimidine;4-chloro-2,6-diphenylpyrimidine;3-(2,6-diphenylpyrimidin-4-yl)-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;2-[3-(2,6-diphenylpyrimidin-4-yl)-2-fluoro-5-(trifluoromethyl)phenyl]-4,6-diphenylpyrimidine;4-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]-2,6-diphenylpyrimidine;2-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The canonical SMILES for 2-chloro-4,6-diphenylpyrimidine;4-chloro-2,6-diphenylpyrimidine;3-(2,6-diphenylpyrimidin-4-yl)-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;2-[3-(2,6-diphenylpyrimidin-4-yl)-2-fluoro-5-(trifluoromethyl)phenyl]-4,6-diphenylpyrimidine;4-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]-2,6-diphenylpyrimidine;2-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(c2cc(C#N)cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c2F)OC1(C)C.CC1(C)OB(c2cc(C(F)(F)F)cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c2F)OC1(C)C.CC1(C)OB(c2cc(C(F)(F)F)cc(B3OC(C)(C)C(C)(C)O3)c2F)OC1(C)C.Clc1cc(-c2ccccc2)nc(-c2ccccc2)n1.Clc1nc(-c2ccccc2)cc(-c2ccccc2)n1.Fc1c(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc(C(F)(F)F)cc1-c1nc(-c2ccccc2)cc(-c2ccccc2)n1.

What is the InChIKey of 2-chloro-4,6-diphenylpyrimidine;4-chloro-2,6-diphenylpyrimidine;3-(2,6-diphenylpyrimidin-4-yl)-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;2-[3-(2,6-diphenylpyrimidin-4-yl)-2-fluoro-5-(trifluoromethyl)phenyl]-4,6-diphenylpyrimidine;4-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]-2,6-diphenylpyrimidine;2-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The InChIKey is URXMPGDAIFXVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24F4N4.C29H25BF4N2O2.C29H25BFN3O2.C19H26B2F4O4.2C16H11ClN2/c40-36-30(35-24-34(27-17-9-3-10-18-27)44-37(47-35)28-19-11-4-12-20-28)21-29(39(41,42)43)22-31(36)38-45-32(25-13-5-1-6-14-25)23-33(46-38)26-15-7-2-8-16-26;1-27(2)28(3,4)38-30(37-27)22-16-20(29(32,33)34)15-21(25(22)31)24-17-23(18-11-7-5-8-12-18)35-26(36-24)19-13-9-6-10-14-19;1-28(2)29(3,4)36-30(35-28)23-16-19(18-32)15-22(26(23)31)25-17-24(20-11-7-5-8-12-20)33-27(34-25)21-13-9-6-10-14-21;1-15(2)16(3,4)27-20(26-15)12-9-11(19(23,24)25)10-13(14(12)22)21-28-17(5,6)18(7,8)29-21;17-15-11-14(12-7-3-1-4-8-12)18-16(19-15)13-9-5-2-6-10-13;17-16-18-14(12-7-3-1-4-8-12)11-15(19-16)13-9-5-2-6-10-13/h1-24H;5-17H,1-4H3;5-17H,1-4H3;9-10H,1-8H3;2*1-11H.

What are the key properties of 2-chloro-4,6-diphenylpyrimidine;4-chloro-2,6-diphenylpyrimidine;3-(2,6-diphenylpyrimidin-4-yl)-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;2-[3-(2,6-diphenylpyrimidin-4-yl)-2-fluoro-5-(trifluoromethyl)phenyl]-4,6-diphenylpyrimidine;4-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]-2,6-diphenylpyrimidine;2-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

2-chloro-4,6-diphenylpyrimidine;4-chloro-2,6-diphenylpyrimidine;3-(2,6-diphenylpyrimidin-4-yl)-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;2-[3-(2,6-diphenylpyrimidin-4-yl)-2-fluoro-5-(trifluoromethyl)phenyl]-4,6-diphenylpyrimidine;4-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]-2,6-diphenylpyrimidine;2-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 2571.81 g/mol, XLogP of 35.52, 20 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4,6-diphenylpyrimidine;4-chloro-2,6-diphenylpyrimidine;3-(2,6-diphenylpyrimidin-4-yl)-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;2-[3-(2,6-diphenylpyrimidin-4-yl)-2-fluoro-5-(trifluoromethyl)phenyl]-4,6-diphenylpyrimidine;4-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]-2,6-diphenylpyrimidine;2-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 161176778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).