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

C83H71Cl7F3N25 — CID 159246225

IUPAC6-[2-[[2-(2-chlorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;5-[2-[[6-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyrazine-2-carbonitrile;6-[3-[[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[3-[[2-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCCCNc2cc(C(F)(F)F)nc(-c3ccc(Cl)cc3Cl)n2)nc1.N#Cc1ccc(NCCCNc2nc(-c3ccc(Cl)cc3Cl)ncc2C2CC2)nc1.N#Cc1ccc(NCCNc2nc(-c3ccccc3Cl)ncc2C2CC2)nc1.N#Cc1cnc(NCCNc2cc(C3CC3)nc(-c3ccc(Cl)cc3Cl)n2)cn1
InChIInChI=1S/C22H20Cl2N6.C21H19ClN6.C20H15Cl2F3N6.C20H17Cl2N7/c23-16-5-6-17(19(24)10-16)21-29-13-18(15-3-4-15)22(30-21)27-9-1-8-26-20-7-2-14(11-25)12-28-20;22-18-4-2-1-3-16(18)20-27-13-17(15-6-7-15)21(28-20)25-10-9-24-19-8-5-14(11-23)12-26-19;21-13-3-4-14(15(22)8-13)19-30-16(20(23,24)25)9-18(31-19)28-7-1-6-27-17-5-2-12(10-26)11-29-17;21-13-3-4-15(16(22)7-13)20-28-17(12-1-2-12)8-18(29-20)24-5-6-25-19-11-26-14(9-23)10-27-19/h2,5-7,10,12-13,15H,1,3-4,8-9H2,(H,26,28)(H,27,29,30);1-5,8,12-13,15H,6-7,9-10H2,(H,24,26)(H,25,27,28);2-5,8-9,11H,1,6-7H2,(H,27,29)(H,28,30,31);3-4,7-8,10-12H,1-2,5-6H2,(H,25,27)(H,24,28,29)
InChIKeyKUSIAVLQFIXXTC-UHFFFAOYSA-N
MW1723.82 g/mol
LogP20.14
Rot. Bonds29

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

6-[2-[[2-(2-chlorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;5-[2-[[6-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyrazine-2-carbonitrile;6-[3-[[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[3-[[2-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile (PubChem CID 159246225) has the molecular formula C83H71Cl7F3N25 and a molecular weight of 1723.82 g/mol. Its IUPAC name is 6-[2-[[2-(2-chlorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;5-[2-[[6-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyrazine-2-carbonitrile;6-[3-[[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[3-[[2-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-[[2-(2-chlorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;5-[2-[[6-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyrazine-2-carbonitrile;6-[3-[[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[3-[[2-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile
PubChem CID159246225
Molecular FormulaC83H71Cl7F3N25
Molecular Weight1723.82 g/mol
Exact Mass1719.41
IUPAC Name6-[2-[[2-(2-chlorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;5-[2-[[6-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyrazine-2-carbonitrile;6-[3-[[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[3-[[2-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCCCNc2cc(C(F)(F)F)nc(-c3ccc(Cl)cc3Cl)n2)nc1.N#Cc1ccc(NCCCNc2nc(-c3ccc(Cl)cc3Cl)ncc2C2CC2)nc1.N#Cc1ccc(NCCNc2nc(-c3ccccc3Cl)ncc2C2CC2)nc1.N#Cc1cnc(NCCNc2cc(C3CC3)nc(-c3ccc(Cl)cc3Cl)n2)cn1
InChIInChI=1S/C22H20Cl2N6.C21H19ClN6.C20H15Cl2F3N6.C20H17Cl2N7/c23-16-5-6-17(19(24)10-16)21-29-13-18(15-3-4-15)22(30-21)27-9-1-8-26-20-7-2-14(11-25)12-28-20;22-18-4-2-1-3-16(18)20-27-13-17(15-6-7-15)21(28-20)25-10-9-24-19-8-5-14(11-23)12-26-19;21-13-3-4-14(15(22)8-13)19-30-16(20(23,24)25)9-18(31-19)28-7-1-6-27-17-5-2-12(10-26)11-29-17;21-13-3-4-15(16(22)7-13)20-28-17(12-1-2-12)8-18(29-20)24-5-6-25-19-11-26-14(9-23)10-27-19/h2,5-7,10,12-13,15H,1,3-4,8-9H2,(H,26,28)(H,27,29,30);1-5,8,12-13,15H,6-7,9-10H2,(H,24,26)(H,25,27,28);2-5,8-9,11H,1,6-7H2,(H,27,29)(H,28,30,31);3-4,7-8,10-12H,1-2,5-6H2,(H,25,27)(H,24,28,29)
InChIKeyKUSIAVLQFIXXTC-UHFFFAOYSA-N
XLogP20.14
TPSA358.97 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds29
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001723.82
LogP ≤ 520.14
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 6-[2-[[2-(2-chlorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;5-[2-[[6-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyrazine-2-carbonitrile;6-[3-[[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[3-[[2-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propylamino]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-(2-fluorophenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile
CID 59106809
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-(1H-imidazol-2-yl)pyrimidin-2-yl]-[[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]amino]ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 87779806
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
6-chloro-N-[4-(5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-3-fluoropyridin-2-amine
CID 90100094
5-chloro-N-[4-(8-chloro-5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-3-fluoropyridin-2-amine
CID 118224898
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
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
N'-(1H-benzimidazol-2-yl)-N-[2-(2,4-dichlorophenyl)quinazolin-4-yl]propane-1,3-diamine;N'-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-N-(1H-indol-2-yl)propane-1,3-diamine;6-[2-[[2-(2,4-dichlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile
CID 157665431
5-[2-[[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyrazine-2-carbonitrile;6-[2-[[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;N'-[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine;6-[2-[[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile
CID 158381356
4-chloro-6-phenyl-2-[2-(trifluoromethyl)phenyl]pyrimidine;N'-(5-isocyano-2-pyridinyl)ethane-1,2-diamine;methane;6-[2-[[6-phenyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile
CID 158771358

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[2-(2-chlorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;5-[2-[[6-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyrazine-2-carbonitrile;6-[3-[[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[3-[[2-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-[[2-(2-chlorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;5-[2-[[6-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyrazine-2-carbonitrile;6-[3-[[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[3-[[2-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile (CID 159246225) is 6-[2-[[2-(2-chlorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;5-[2-[[6-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyrazine-2-carbonitrile;6-[3-[[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[3-[[2-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-[[2-(2-chlorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;5-[2-[[6-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyrazine-2-carbonitrile;6-[3-[[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[3-[[2-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-[[2-(2-chlorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;5-[2-[[6-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyrazine-2-carbonitrile;6-[3-[[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[3-[[2-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile is N#Cc1ccc(NCCCNc2cc(C(F)(F)F)nc(-c3ccc(Cl)cc3Cl)n2)nc1.N#Cc1ccc(NCCCNc2nc(-c3ccc(Cl)cc3Cl)ncc2C2CC2)nc1.N#Cc1ccc(NCCNc2nc(-c3ccccc3Cl)ncc2C2CC2)nc1.N#Cc1cnc(NCCNc2cc(C3CC3)nc(-c3ccc(Cl)cc3Cl)n2)cn1.
What is the InChIKey of 6-[2-[[2-(2-chlorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;5-[2-[[6-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyrazine-2-carbonitrile;6-[3-[[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[3-[[2-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile?
The InChIKey is KUSIAVLQFIXXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N6.C21H19ClN6.C20H15Cl2F3N6.C20H17Cl2N7/c23-16-5-6-17(19(24)10-16)21-29-13-18(15-3-4-15)22(30-21)27-9-1-8-26-20-7-2-14(11-25)12-28-20;22-18-4-2-1-3-16(18)20-27-13-17(15-6-7-15)21(28-20)25-10-9-24-19-8-5-14(11-23)12-26-19;21-13-3-4-14(15(22)8-13)19-30-16(20(23,24)25)9-18(31-19)28-7-1-6-27-17-5-2-12(10-26)11-29-17;21-13-3-4-15(16(22)7-13)20-28-17(12-1-2-12)8-18(29-20)24-5-6-25-19-11-26-14(9-23)10-27-19/h2,5-7,10,12-13,15H,1,3-4,8-9H2,(H,26,28)(H,27,29,30);1-5,8,12-13,15H,6-7,9-10H2,(H,24,26)(H,25,27,28);2-5,8-9,11H,1,6-7H2,(H,27,29)(H,28,30,31);3-4,7-8,10-12H,1-2,5-6H2,(H,25,27)(H,24,28,29).
What are the key properties of 6-[2-[[2-(2-chlorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;5-[2-[[6-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyrazine-2-carbonitrile;6-[3-[[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[3-[[2-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile?
6-[2-[[2-(2-chlorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;5-[2-[[6-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyrazine-2-carbonitrile;6-[3-[[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[3-[[2-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile has a molecular weight of 1723.82 g/mol, XLogP of 20.14, 29 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[2-(2-chlorophenyl)-5-cyclopropylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;5-[2-[[6-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyrazine-2-carbonitrile;6-[3-[[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[3-[[2-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 159246225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).