6-[2-[[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[3-[[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[2-[[6-phenyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[6-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile

C86H72Cl3F9N24 — CID 160743912

IUPAC6-[2-[[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[3-[[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[2-[[6-phenyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[6-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile
SMILESCc1nc(-c2ccc(Cl)cc2Cl)nc(NCCCNc2ccc(C#N)cn2)c1C.Cc1nc(-c2ccccc2Cl)nc(NCCNc2ccc(C#N)cn2)c1C.N#Cc1ccc(NCCNc2cc(-c3ccccc3)nc(-c3ccccc3C(F)(F)F)n2)nc1.N#Cc1ccc(NCCNc2cc(C(F)(F)F)nc(-c3ccccc3C(F)(F)F)n2)nc1
InChIInChI=1S/C25H19F3N6.C21H20Cl2N6.C20H19ClN6.C20H14F6N6/c26-25(27,28)20-9-5-4-8-19(20)24-33-21(18-6-2-1-3-7-18)14-23(34-24)31-13-12-30-22-11-10-17(15-29)16-32-22;1-13-14(2)28-21(17-6-5-16(22)10-18(17)23)29-20(13)26-9-3-8-25-19-7-4-15(11-24)12-27-19;1-13-14(2)26-20(16-5-3-4-6-17(16)21)27-19(13)24-10-9-23-18-8-7-15(11-22)12-25-18;21-19(22,23)14-4-2-1-3-13(14)18-31-15(20(24,25)26)9-17(32-18)29-8-7-28-16-6-5-12(10-27)11-30-16/h1-11,14,16H,12-13H2,(H,30,32)(H,31,33,34);4-7,10,12H,3,8-9H2,1-2H3,(H,25,27)(H,26,28,29);3-8,12H,9-10H2,1-2H3,(H,23,25)(H,24,26,27);1-6,9,11H,7-8H2,(H,28,30)(H,29,31,32)
InChIKeyRVYFALLJIUSZPU-UHFFFAOYSA-N
MW1719.03 g/mol
LogP20.04
Rot. Bonds26

About 6-[2-[[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[3-[[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[2-[[6-phenyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[6-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile

6-[2-[[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[3-[[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[2-[[6-phenyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[6-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile (PubChem CID 160743912) has the molecular formula C86H72Cl3F9N24 and a molecular weight of 1719.03 g/mol. Its IUPAC name is 6-[2-[[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[3-[[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[2-[[6-phenyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[6-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-[[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[3-[[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[2-[[6-phenyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[6-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile
PubChem CID160743912
Molecular FormulaC86H72Cl3F9N24
Molecular Weight1719.03 g/mol
Exact Mass1716.53
IUPAC Name6-[2-[[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[3-[[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[2-[[6-phenyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[6-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile
SMILESCc1nc(-c2ccc(Cl)cc2Cl)nc(NCCCNc2ccc(C#N)cn2)c1C.Cc1nc(-c2ccccc2Cl)nc(NCCNc2ccc(C#N)cn2)c1C.N#Cc1ccc(NCCNc2cc(-c3ccccc3)nc(-c3ccccc3C(F)(F)F)n2)nc1.N#Cc1ccc(NCCNc2cc(C(F)(F)F)nc(-c3ccccc3C(F)(F)F)n2)nc1
InChIInChI=1S/C25H19F3N6.C21H20Cl2N6.C20H19ClN6.C20H14F6N6/c26-25(27,28)20-9-5-4-8-19(20)24-33-21(18-6-2-1-3-7-18)14-23(34-24)31-13-12-30-22-11-10-17(15-29)16-32-22;1-13-14(2)28-21(17-6-5-16(22)10-18(17)23)29-20(13)26-9-3-8-25-19-7-4-15(11-24)12-27-19;1-13-14(2)26-20(16-5-3-4-6-17(16)21)27-19(13)24-10-9-23-18-8-7-15(11-22)12-25-18;21-19(22,23)14-4-2-1-3-13(14)18-31-15(20(24,25)26)9-17(32-18)29-8-7-28-16-6-5-12(10-27)11-30-16/h1-11,14,16H,12-13H2,(H,30,32)(H,31,33,34);4-7,10,12H,3,8-9H2,1-2H3,(H,25,27)(H,26,28,29);3-8,12H,9-10H2,1-2H3,(H,23,25)(H,24,26,27);1-6,9,11H,7-8H2,(H,28,30)(H,29,31,32)
InChIKeyRVYFALLJIUSZPU-UHFFFAOYSA-N
XLogP20.04
TPSA346.08 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds26
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001719.03
LogP ≤ 520.04
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 6-[2-[[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[3-[[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[2-[[6-phenyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[6-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile with MolForge

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Related Compounds

6-[2-[[2-(2,4-Dichlorophenyl)-6-(2-fluorophenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile
CID 59106766
6-[3-[[2-(2,4-Dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile
CID 59106793
6-[3-[[2-(2,4-Dichlorophenyl)-6-(2-fluorophenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile
CID 59106809
6-[2-[[2-(2,4-Dichlorophenyl)-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile
CID 59106851
N-[2-[[4-(2,4-dichlorophenyl)-5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-[[4-(2,4-dichlorophenyl)-5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]amino]ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 87778591
N-[2-[[4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]-[[4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]amino]ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 87779865
2-(3-chlorophenyl)-N-[[3-[3-[4-[[6-[3-chloro-5-[4-(pyrimidin-4-ylamino)pyrimidin-2-yl]phenyl]pyrimidin-4-yl]amino]pyrimidin-2-yl]-4-fluorophenyl]-4-pyridinyl]methyl]pyrimidin-4-amine
CID 142855977
7-benzyl-4-chloro-2-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;6-[2-[[7-benzyl-2-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;N'-(5-isocyano-2-pyridinyl)ethane-1,2-diamine;methane
CID 157268741
7-(3-chloro-2-pyridinyl)-2-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2-(methylaminomethyl)-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;2-(pyrrolidin-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 157331207
4-chloro-6-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidine;N'-(5-isocyano-2-pyridinyl)ethane-1,2-diamine;6-[2-[[6-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile
CID 157352659
[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methanamine;2-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2,4-dichloro-5-(trifluoromethyl)pyrimidine;methane
CID 157468046
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

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[3-[[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[2-[[6-phenyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[6-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-[[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[3-[[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[2-[[6-phenyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[6-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile (CID 160743912) is 6-[2-[[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[3-[[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[2-[[6-phenyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[6-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-[[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[3-[[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[2-[[6-phenyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[6-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-[[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[3-[[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[2-[[6-phenyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[6-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile is Cc1nc(-c2ccc(Cl)cc2Cl)nc(NCCCNc2ccc(C#N)cn2)c1C.Cc1nc(-c2ccccc2Cl)nc(NCCNc2ccc(C#N)cn2)c1C.N#Cc1ccc(NCCNc2cc(-c3ccccc3)nc(-c3ccccc3C(F)(F)F)n2)nc1.N#Cc1ccc(NCCNc2cc(C(F)(F)F)nc(-c3ccccc3C(F)(F)F)n2)nc1.
What is the InChIKey of 6-[2-[[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[3-[[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[2-[[6-phenyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[6-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile?
The InChIKey is RVYFALLJIUSZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N6.C21H20Cl2N6.C20H19ClN6.C20H14F6N6/c26-25(27,28)20-9-5-4-8-19(20)24-33-21(18-6-2-1-3-7-18)14-23(34-24)31-13-12-30-22-11-10-17(15-29)16-32-22;1-13-14(2)28-21(17-6-5-16(22)10-18(17)23)29-20(13)26-9-3-8-25-19-7-4-15(11-24)12-27-19;1-13-14(2)26-20(16-5-3-4-6-17(16)21)27-19(13)24-10-9-23-18-8-7-15(11-22)12-25-18;21-19(22,23)14-4-2-1-3-13(14)18-31-15(20(24,25)26)9-17(32-18)29-8-7-28-16-6-5-12(10-27)11-30-16/h1-11,14,16H,12-13H2,(H,30,32)(H,31,33,34);4-7,10,12H,3,8-9H2,1-2H3,(H,25,27)(H,26,28,29);3-8,12H,9-10H2,1-2H3,(H,23,25)(H,24,26,27);1-6,9,11H,7-8H2,(H,28,30)(H,29,31,32).
What are the key properties of 6-[2-[[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[3-[[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[2-[[6-phenyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[6-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile?
6-[2-[[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[3-[[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[2-[[6-phenyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[6-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile has a molecular weight of 1719.03 g/mol, XLogP of 20.04, 26 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[3-[[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[2-[[6-phenyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[6-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 160743912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).