4,6-bis[3,5-bis(2-fluoro-4-pyridinyl)phenyl]-2-methylpyrimidine;4,6-bis[3,5-bis(3-fluoro-4-pyridinyl)phenyl]-2-methylpyrimidine;4,6-bis(3,5-dipyridin-4-ylphenyl)-2-fluoropyrimidine;4,6-bis(3,5-dipyridin-4-ylphenyl)-2-methylpyrimidine;2-chloro-4,6-bis(3,5-dipyridin-4-ylphenyl)pyrimidine

C183H116ClF9N30 — CID 161011214

IUPAC4,6-bis[3,5-bis(2-fluoro-4-pyridinyl)phenyl]-2-methylpyrimidine;4,6-bis[3,5-bis(3-fluoro-4-pyridinyl)phenyl]-2-methylpyrimidine;4,6-bis(3,5-dipyridin-4-ylphenyl)-2-fluoropyrimidine;4,6-bis(3,5-dipyridin-4-ylphenyl)-2-methylpyrimidine;2-chloro-4,6-bis(3,5-dipyridin-4-ylphenyl)pyrimidine
SMILESCc1nc(-c2cc(-c3ccnc(F)c3)cc(-c3ccnc(F)c3)c2)cc(-c2cc(-c3ccnc(F)c3)cc(-c3ccnc(F)c3)c2)n1.Cc1nc(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)cc(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)n1.Cc1nc(-c2cc(-c3ccncc3F)cc(-c3ccncc3F)c2)cc(-c2cc(-c3ccncc3F)cc(-c3ccncc3F)c2)n1.Clc1nc(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)cc(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)n1.Fc1nc(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)cc(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)n1
InChIInChI=1S/2C37H22F4N6.C37H26N6.C36H23ClN6.C36H23FN6/c1-21-46-36(26-12-22(28-2-6-42-17-32(28)38)10-23(13-26)29-3-7-43-18-33(29)39)16-37(47-21)27-14-24(30-4-8-44-19-34(30)40)11-25(15-27)31-5-9-45-20-35(31)41;1-21-46-32(30-12-26(22-2-6-42-34(38)16-22)10-27(13-30)23-3-7-43-35(39)17-23)20-33(47-21)31-14-28(24-4-8-44-36(40)18-24)11-29(15-31)25-5-9-45-37(41)19-25;1-25-42-36(34-20-30(26-2-10-38-11-3-26)18-31(21-34)27-4-12-39-13-5-27)24-37(43-25)35-22-32(28-6-14-40-15-7-28)19-33(23-35)29-8-16-41-17-9-29;2*37-36-42-34(32-19-28(24-1-9-38-10-2-24)17-29(20-32)25-3-11-39-12-4-25)23-35(43-36)33-21-30(26-5-13-40-14-6-26)18-31(22-33)27-7-15-41-16-8-27/h2*2-20H,1H3;2-24H,1H3;2*1-23H
InChIKeyTXDGTIXWIGIMLA-UHFFFAOYSA-N
MW2941.59 g/mol
LogP43.12
Rot. Bonds30

About 4,6-bis[3,5-bis(2-fluoro-4-pyridinyl)phenyl]-2-methylpyrimidine;4,6-bis[3,5-bis(3-fluoro-4-pyridinyl)phenyl]-2-methylpyrimidine;4,6-bis(3,5-dipyridin-4-ylphenyl)-2-fluoropyrimidine;4,6-bis(3,5-dipyridin-4-ylphenyl)-2-methylpyrimidine;2-chloro-4,6-bis(3,5-dipyridin-4-ylphenyl)pyrimidine

4,6-bis[3,5-bis(2-fluoro-4-pyridinyl)phenyl]-2-methylpyrimidine;4,6-bis[3,5-bis(3-fluoro-4-pyridinyl)phenyl]-2-methylpyrimidine;4,6-bis(3,5-dipyridin-4-ylphenyl)-2-fluoropyrimidine;4,6-bis(3,5-dipyridin-4-ylphenyl)-2-methylpyrimidine;2-chloro-4,6-bis(3,5-dipyridin-4-ylphenyl)pyrimidine (PubChem CID 161011214) has the molecular formula C183H116ClF9N30 and a molecular weight of 2941.59 g/mol. Its IUPAC name is 4,6-bis[3,5-bis(2-fluoro-4-pyridinyl)phenyl]-2-methylpyrimidine;4,6-bis[3,5-bis(3-fluoro-4-pyridinyl)phenyl]-2-methylpyrimidine;4,6-bis(3,5-dipyridin-4-ylphenyl)-2-fluoropyrimidine;4,6-bis(3,5-dipyridin-4-ylphenyl)-2-methylpyrimidine;2-chloro-4,6-bis(3,5-dipyridin-4-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4,6-bis[3,5-bis(2-fluoro-4-pyridinyl)phenyl]-2-methylpyrimidine;4,6-bis[3,5-bis(3-fluoro-4-pyridinyl)phenyl]-2-methylpyrimidine;4,6-bis(3,5-dipyridin-4-ylphenyl)-2-fluoropyrimidine;4,6-bis(3,5-dipyridin-4-ylphenyl)-2-methylpyrimidine;2-chloro-4,6-bis(3,5-dipyridin-4-ylphenyl)pyrimidine
PubChem CID161011214
Molecular FormulaC183H116ClF9N30
Molecular Weight2941.59 g/mol
Exact Mass2938.95
IUPAC Name4,6-bis[3,5-bis(2-fluoro-4-pyridinyl)phenyl]-2-methylpyrimidine;4,6-bis[3,5-bis(3-fluoro-4-pyridinyl)phenyl]-2-methylpyrimidine;4,6-bis(3,5-dipyridin-4-ylphenyl)-2-fluoropyrimidine;4,6-bis(3,5-dipyridin-4-ylphenyl)-2-methylpyrimidine;2-chloro-4,6-bis(3,5-dipyridin-4-ylphenyl)pyrimidine
SMILESCc1nc(-c2cc(-c3ccnc(F)c3)cc(-c3ccnc(F)c3)c2)cc(-c2cc(-c3ccnc(F)c3)cc(-c3ccnc(F)c3)c2)n1.Cc1nc(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)cc(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)n1.Cc1nc(-c2cc(-c3ccncc3F)cc(-c3ccncc3F)c2)cc(-c2cc(-c3ccncc3F)cc(-c3ccncc3F)c2)n1.Clc1nc(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)cc(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)n1.Fc1nc(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)cc(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)n1
InChIInChI=1S/2C37H22F4N6.C37H26N6.C36H23ClN6.C36H23FN6/c1-21-46-36(26-12-22(28-2-6-42-17-32(28)38)10-23(13-26)29-3-7-43-18-33(29)39)16-37(47-21)27-14-24(30-4-8-44-19-34(30)40)11-25(15-27)31-5-9-45-20-35(31)41;1-21-46-32(30-12-26(22-2-6-42-34(38)16-22)10-27(13-30)23-3-7-43-35(39)17-23)20-33(47-21)31-14-28(24-4-8-44-36(40)18-24)11-29(15-31)25-5-9-45-37(41)19-25;1-25-42-36(34-20-30(26-2-10-38-11-3-26)18-31(21-34)27-4-12-39-13-5-27)24-37(43-25)35-22-32(28-6-14-40-15-7-28)19-33(23-35)29-8-16-41-17-9-29;2*37-36-42-34(32-19-28(24-1-9-38-10-2-24)17-29(20-32)25-3-11-39-12-4-25)23-35(43-36)33-21-30(26-5-13-40-14-6-26)18-31(22-33)27-7-15-41-16-8-27/h2*2-20H,1H3;2-24H,1H3;2*1-23H
InChIKeyTXDGTIXWIGIMLA-UHFFFAOYSA-N
XLogP43.12
TPSA386.70 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds30
Heavy Atoms223
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002941.59
LogP ≤ 543.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4,6-bis[3,5-bis(2-fluoro-4-pyridinyl)phenyl]-2-methylpyrimidine;4,6-bis[3,5-bis(3-fluoro-4-pyridinyl)phenyl]-2-methylpyrimidine;4,6-bis(3,5-dipyridin-4-ylphenyl)-2-fluoropyrimidine;4,6-bis(3,5-dipyridin-4-ylphenyl)-2-methylpyrimidine;2-chloro-4,6-bis(3,5-dipyridin-4-ylphenyl)pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis[3,5-bis(2-fluoro-4-pyridinyl)phenyl]-2-methylpyrimidine;4,6-bis[3,5-bis(3-fluoro-4-pyridinyl)phenyl]-2-methylpyrimidine;4,6-bis(3,5-dipyridin-4-ylphenyl)-2-fluoropyrimidine;4,6-bis(3,5-dipyridin-4-ylphenyl)-2-methylpyrimidine;2-chloro-4,6-bis(3,5-dipyridin-4-ylphenyl)pyrimidine?
The IUPAC name of 4,6-bis[3,5-bis(2-fluoro-4-pyridinyl)phenyl]-2-methylpyrimidine;4,6-bis[3,5-bis(3-fluoro-4-pyridinyl)phenyl]-2-methylpyrimidine;4,6-bis(3,5-dipyridin-4-ylphenyl)-2-fluoropyrimidine;4,6-bis(3,5-dipyridin-4-ylphenyl)-2-methylpyrimidine;2-chloro-4,6-bis(3,5-dipyridin-4-ylphenyl)pyrimidine (CID 161011214) is 4,6-bis[3,5-bis(2-fluoro-4-pyridinyl)phenyl]-2-methylpyrimidine;4,6-bis[3,5-bis(3-fluoro-4-pyridinyl)phenyl]-2-methylpyrimidine;4,6-bis(3,5-dipyridin-4-ylphenyl)-2-fluoropyrimidine;4,6-bis(3,5-dipyridin-4-ylphenyl)-2-methylpyrimidine;2-chloro-4,6-bis(3,5-dipyridin-4-ylphenyl)pyrimidine.
What is the SMILES notation for 4,6-bis[3,5-bis(2-fluoro-4-pyridinyl)phenyl]-2-methylpyrimidine;4,6-bis[3,5-bis(3-fluoro-4-pyridinyl)phenyl]-2-methylpyrimidine;4,6-bis(3,5-dipyridin-4-ylphenyl)-2-fluoropyrimidine;4,6-bis(3,5-dipyridin-4-ylphenyl)-2-methylpyrimidine;2-chloro-4,6-bis(3,5-dipyridin-4-ylphenyl)pyrimidine?
The canonical SMILES for 4,6-bis[3,5-bis(2-fluoro-4-pyridinyl)phenyl]-2-methylpyrimidine;4,6-bis[3,5-bis(3-fluoro-4-pyridinyl)phenyl]-2-methylpyrimidine;4,6-bis(3,5-dipyridin-4-ylphenyl)-2-fluoropyrimidine;4,6-bis(3,5-dipyridin-4-ylphenyl)-2-methylpyrimidine;2-chloro-4,6-bis(3,5-dipyridin-4-ylphenyl)pyrimidine is Cc1nc(-c2cc(-c3ccnc(F)c3)cc(-c3ccnc(F)c3)c2)cc(-c2cc(-c3ccnc(F)c3)cc(-c3ccnc(F)c3)c2)n1.Cc1nc(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)cc(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)n1.Cc1nc(-c2cc(-c3ccncc3F)cc(-c3ccncc3F)c2)cc(-c2cc(-c3ccncc3F)cc(-c3ccncc3F)c2)n1.Clc1nc(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)cc(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)n1.Fc1nc(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)cc(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)n1.
What is the InChIKey of 4,6-bis[3,5-bis(2-fluoro-4-pyridinyl)phenyl]-2-methylpyrimidine;4,6-bis[3,5-bis(3-fluoro-4-pyridinyl)phenyl]-2-methylpyrimidine;4,6-bis(3,5-dipyridin-4-ylphenyl)-2-fluoropyrimidine;4,6-bis(3,5-dipyridin-4-ylphenyl)-2-methylpyrimidine;2-chloro-4,6-bis(3,5-dipyridin-4-ylphenyl)pyrimidine?
The InChIKey is TXDGTIXWIGIMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C37H22F4N6.C37H26N6.C36H23ClN6.C36H23FN6/c1-21-46-36(26-12-22(28-2-6-42-17-32(28)38)10-23(13-26)29-3-7-43-18-33(29)39)16-37(47-21)27-14-24(30-4-8-44-19-34(30)40)11-25(15-27)31-5-9-45-20-35(31)41;1-21-46-32(30-12-26(22-2-6-42-34(38)16-22)10-27(13-30)23-3-7-43-35(39)17-23)20-33(47-21)31-14-28(24-4-8-44-36(40)18-24)11-29(15-31)25-5-9-45-37(41)19-25;1-25-42-36(34-20-30(26-2-10-38-11-3-26)18-31(21-34)27-4-12-39-13-5-27)24-37(43-25)35-22-32(28-6-14-40-15-7-28)19-33(23-35)29-8-16-41-17-9-29;2*37-36-42-34(32-19-28(24-1-9-38-10-2-24)17-29(20-32)25-3-11-39-12-4-25)23-35(43-36)33-21-30(26-5-13-40-14-6-26)18-31(22-33)27-7-15-41-16-8-27/h2*2-20H,1H3;2-24H,1H3;2*1-23H.
What are the key properties of 4,6-bis[3,5-bis(2-fluoro-4-pyridinyl)phenyl]-2-methylpyrimidine;4,6-bis[3,5-bis(3-fluoro-4-pyridinyl)phenyl]-2-methylpyrimidine;4,6-bis(3,5-dipyridin-4-ylphenyl)-2-fluoropyrimidine;4,6-bis(3,5-dipyridin-4-ylphenyl)-2-methylpyrimidine;2-chloro-4,6-bis(3,5-dipyridin-4-ylphenyl)pyrimidine?
4,6-bis[3,5-bis(2-fluoro-4-pyridinyl)phenyl]-2-methylpyrimidine;4,6-bis[3,5-bis(3-fluoro-4-pyridinyl)phenyl]-2-methylpyrimidine;4,6-bis(3,5-dipyridin-4-ylphenyl)-2-fluoropyrimidine;4,6-bis(3,5-dipyridin-4-ylphenyl)-2-methylpyrimidine;2-chloro-4,6-bis(3,5-dipyridin-4-ylphenyl)pyrimidine has a molecular weight of 2941.59 g/mol, XLogP of 43.12, 30 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[3,5-bis(2-fluoro-4-pyridinyl)phenyl]-2-methylpyrimidine;4,6-bis[3,5-bis(3-fluoro-4-pyridinyl)phenyl]-2-methylpyrimidine;4,6-bis(3,5-dipyridin-4-ylphenyl)-2-fluoropyrimidine;4,6-bis(3,5-dipyridin-4-ylphenyl)-2-methylpyrimidine;2-chloro-4,6-bis(3,5-dipyridin-4-ylphenyl)pyrimidine is sourced from PubChem (CID 161011214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).