N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-N,2,3-trimethylindazol-6-amine;2,4-dichloropyrimidine;3,4-dimethylaniline;4-N-(2,3-dimethylindazol-6-yl)-2-N-(3,4-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine;2,3-dimethyl-6-nitroindazole;3-methyl-6-nitro-2H-indazole;sulfane;tritium monohydride

C78H83Cl4N25O4S — CID 159737901

IUPACN-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-N,2,3-trimethylindazol-6-amine;2,4-dichloropyrimidine;3,4-dimethylaniline;4-N-(2,3-dimethylindazol-6-yl)-2-N-(3,4-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine;2,3-dimethyl-6-nitroindazole;3-methyl-6-nitro-2H-indazole;sulfane;tritium monohydride
SMILESCc1[nH]nc2cc([N+](=O)[O-])ccc12.Cc1c2ccc(N(C)c3ccnc(Cl)n3)cc2nn1C.Cc1c2ccc(Nc3ccnc(Cl)n3)cc2nn1C.Cc1c2ccc([N+](=O)[O-])cc2nn1C.Cc1ccc(N)cc1C.Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1C.Clc1ccnc(Cl)n1.S.[H][3H]
InChIInChI=1S/C22H24N6.C14H14ClN5.C13H12ClN5.C9H9N3O2.C8H7N3O2.C8H11N.C4H2Cl2N2.H2S.H2/c1-14-6-7-17(12-15(14)2)24-22-23-11-10-21(25-22)27(4)18-8-9-19-16(3)28(5)26-20(19)13-18;1-9-11-5-4-10(8-12(11)18-20(9)3)19(2)13-6-7-16-14(15)17-13;1-8-10-4-3-9(7-11(10)18-19(8)2)16-12-5-6-15-13(14)17-12;1-6-8-4-3-7(12(13)14)5-9(8)10-11(6)2;1-5-7-3-2-6(11(12)13)4-8(7)10-9-5;1-6-3-4-8(9)5-7(6)2;5-3-1-2-7-4(6)8-3;;/h6-13H,1-5H3,(H,23,24,25);4-8H,1-3H3;3-7H,1-2H3,(H,15,16,17);3-5H,1-2H3;2-4H,1H3,(H,9,10);3-5H,9H2,1-2H3;1-2H;1H2;1H/i;;;;;;;;1+2
InChIKeyNCBLTGUDGRKDOJ-JLGFWVMKSA-N
MW1610.58 g/mol
LogP18.56
Rot. Bonds10

About N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-N,2,3-trimethylindazol-6-amine;2,4-dichloropyrimidine;3,4-dimethylaniline;4-N-(2,3-dimethylindazol-6-yl)-2-N-(3,4-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine;2,3-dimethyl-6-nitroindazole;3-methyl-6-nitro-2H-indazole;sulfane;tritium monohydride

N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-N,2,3-trimethylindazol-6-amine;2,4-dichloropyrimidine;3,4-dimethylaniline;4-N-(2,3-dimethylindazol-6-yl)-2-N-(3,4-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine;2,3-dimethyl-6-nitroindazole;3-methyl-6-nitro-2H-indazole;sulfane;tritium monohydride (PubChem CID 159737901) has the molecular formula C78H83Cl4N25O4S and a molecular weight of 1610.58 g/mol. Its IUPAC name is N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-N,2,3-trimethylindazol-6-amine;2,4-dichloropyrimidine;3,4-dimethylaniline;4-N-(2,3-dimethylindazol-6-yl)-2-N-(3,4-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine;2,3-dimethyl-6-nitroindazole;3-methyl-6-nitro-2H-indazole;sulfane;tritium monohydride.

Molecular Properties

Compound NameN-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-N,2,3-trimethylindazol-6-amine;2,4-dichloropyrimidine;3,4-dimethylaniline;4-N-(2,3-dimethylindazol-6-yl)-2-N-(3,4-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine;2,3-dimethyl-6-nitroindazole;3-methyl-6-nitro-2H-indazole;sulfane;tritium monohydride
PubChem CID159737901
Molecular FormulaC78H83Cl4N25O4S
Molecular Weight1610.58 g/mol
Exact Mass1607.56
IUPAC NameN-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-N,2,3-trimethylindazol-6-amine;2,4-dichloropyrimidine;3,4-dimethylaniline;4-N-(2,3-dimethylindazol-6-yl)-2-N-(3,4-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine;2,3-dimethyl-6-nitroindazole;3-methyl-6-nitro-2H-indazole;sulfane;tritium monohydride
SMILESCc1[nH]nc2cc([N+](=O)[O-])ccc12.Cc1c2ccc(N(C)c3ccnc(Cl)n3)cc2nn1C.Cc1c2ccc(Nc3ccnc(Cl)n3)cc2nn1C.Cc1c2ccc([N+](=O)[O-])cc2nn1C.Cc1ccc(N)cc1C.Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1C.Clc1ccnc(Cl)n1.S.[H][3H]
InChIInChI=1S/C22H24N6.C14H14ClN5.C13H12ClN5.C9H9N3O2.C8H7N3O2.C8H11N.C4H2Cl2N2.H2S.H2/c1-14-6-7-17(12-15(14)2)24-22-23-11-10-21(25-22)27(4)18-8-9-19-16(3)28(5)26-20(19)13-18;1-9-11-5-4-10(8-12(11)18-20(9)3)19(2)13-6-7-16-14(15)17-13;1-8-10-4-3-9(7-11(10)18-19(8)2)16-12-5-6-15-13(14)17-12;1-6-8-4-3-7(12(13)14)5-9(8)10-11(6)2;1-5-7-3-2-6(11(12)13)4-8(7)10-9-5;1-6-3-4-8(9)5-7(6)2;5-3-1-2-7-4(6)8-3;;/h6-13H,1-5H3,(H,23,24,25);4-8H,1-3H3;3-7H,1-2H3,(H,15,16,17);3-5H,1-2H3;2-4H,1H3,(H,9,10);3-5H,9H2,1-2H3;1-2H;1H2;1H/i;;;;;;;;1+2
InChIKeyNCBLTGUDGRKDOJ-JLGFWVMKSA-N
XLogP18.56
TPSA345.92 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds10
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001610.58
LogP ≤ 518.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-N,2,3-trimethylindazol-6-amine;2,4-dichloropyrimidine;3,4-dimethylaniline;4-N-(2,3-dimethylindazol-6-yl)-2-N-(3,4-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine;2,3-dimethyl-6-nitroindazole;3-methyl-6-nitro-2H-indazole;sulfane;tritium monohydride with MolForge

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Related Compounds

2-methyl-5-[[4-[methyl-(3-methyl-2H-indazol-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 10202534
5-[[4-[(2,3-dimethylindazol-6-yl)amino]pyrimidin-2-yl]-[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide
CID 67228449
3-[[4-[methyl-(3-methyl-2H-indazol-6-yl)amino]pyrimidin-2-yl]amino]benzamide
CID 10270685
5-[[4-[(3-ethenyl-2-methylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide
CID 123807787
N-[4-[bis[5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylphenyl]methyl]phenyl]-1-[5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylphenyl]methanesulfonamide
CID 155675364
5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]-1,3,5-triazin-2-yl]amino]-2-methylbenzenesulfonamide
CID 10296889
2-N-(3,4-dimethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112902020
3-(2-chloro-4-nitrophenyl)-1-(2,3-dimethylindazol-6-yl)-1-methylurea
CID 141356354
2-[4-[[4-[(2,3-dimethylindazol-6-yl)amino]pyrimidin-2-yl]amino]phenyl]sulfonylguanidine
CID 74982365
N-(2-chloropyrimidin-4-yl)-2,3,5-trimethylindazol-6-amine
CID 58936383
disodium;2-[4-(4-amino-2-chlorophenyl)piperazin-1-yl]ethanol;2-(5-amino-2-methylphenyl)acetonitrile;2-[5-[[2-[3-chloro-4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]pyrimidin-4-yl]amino]-2-methylphenyl]acetonitrile;2-[5-[(2-chloropyrimidin-4-yl)amino]-2-methylphenyl]acetonitrile;2,4-dichloropyrimidine;hydride;oxido formate
CID 159231620
2-chloro-N-(3-nitrophenyl)pyrimidin-4-amine
CID 46844785

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-N,2,3-trimethylindazol-6-amine;2,4-dichloropyrimidine;3,4-dimethylaniline;4-N-(2,3-dimethylindazol-6-yl)-2-N-(3,4-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine;2,3-dimethyl-6-nitroindazole;3-methyl-6-nitro-2H-indazole;sulfane;tritium monohydride?
The IUPAC name of N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-N,2,3-trimethylindazol-6-amine;2,4-dichloropyrimidine;3,4-dimethylaniline;4-N-(2,3-dimethylindazol-6-yl)-2-N-(3,4-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine;2,3-dimethyl-6-nitroindazole;3-methyl-6-nitro-2H-indazole;sulfane;tritium monohydride (CID 159737901) is N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-N,2,3-trimethylindazol-6-amine;2,4-dichloropyrimidine;3,4-dimethylaniline;4-N-(2,3-dimethylindazol-6-yl)-2-N-(3,4-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine;2,3-dimethyl-6-nitroindazole;3-methyl-6-nitro-2H-indazole;sulfane;tritium monohydride.
What is the SMILES notation for N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-N,2,3-trimethylindazol-6-amine;2,4-dichloropyrimidine;3,4-dimethylaniline;4-N-(2,3-dimethylindazol-6-yl)-2-N-(3,4-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine;2,3-dimethyl-6-nitroindazole;3-methyl-6-nitro-2H-indazole;sulfane;tritium monohydride?
The canonical SMILES for N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-N,2,3-trimethylindazol-6-amine;2,4-dichloropyrimidine;3,4-dimethylaniline;4-N-(2,3-dimethylindazol-6-yl)-2-N-(3,4-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine;2,3-dimethyl-6-nitroindazole;3-methyl-6-nitro-2H-indazole;sulfane;tritium monohydride is Cc1[nH]nc2cc([N+](=O)[O-])ccc12.Cc1c2ccc(N(C)c3ccnc(Cl)n3)cc2nn1C.Cc1c2ccc(Nc3ccnc(Cl)n3)cc2nn1C.Cc1c2ccc([N+](=O)[O-])cc2nn1C.Cc1ccc(N)cc1C.Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1C.Clc1ccnc(Cl)n1.S.[H][3H].
What is the InChIKey of N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-N,2,3-trimethylindazol-6-amine;2,4-dichloropyrimidine;3,4-dimethylaniline;4-N-(2,3-dimethylindazol-6-yl)-2-N-(3,4-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine;2,3-dimethyl-6-nitroindazole;3-methyl-6-nitro-2H-indazole;sulfane;tritium monohydride?
The InChIKey is NCBLTGUDGRKDOJ-JLGFWVMKSA-N. The full InChI is InChI=1S/C22H24N6.C14H14ClN5.C13H12ClN5.C9H9N3O2.C8H7N3O2.C8H11N.C4H2Cl2N2.H2S.H2/c1-14-6-7-17(12-15(14)2)24-22-23-11-10-21(25-22)27(4)18-8-9-19-16(3)28(5)26-20(19)13-18;1-9-11-5-4-10(8-12(11)18-20(9)3)19(2)13-6-7-16-14(15)17-13;1-8-10-4-3-9(7-11(10)18-19(8)2)16-12-5-6-15-13(14)17-12;1-6-8-4-3-7(12(13)14)5-9(8)10-11(6)2;1-5-7-3-2-6(11(12)13)4-8(7)10-9-5;1-6-3-4-8(9)5-7(6)2;5-3-1-2-7-4(6)8-3;;/h6-13H,1-5H3,(H,23,24,25);4-8H,1-3H3;3-7H,1-2H3,(H,15,16,17);3-5H,1-2H3;2-4H,1H3,(H,9,10);3-5H,9H2,1-2H3;1-2H;1H2;1H/i;;;;;;;;1+2.
What are the key properties of N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-N,2,3-trimethylindazol-6-amine;2,4-dichloropyrimidine;3,4-dimethylaniline;4-N-(2,3-dimethylindazol-6-yl)-2-N-(3,4-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine;2,3-dimethyl-6-nitroindazole;3-methyl-6-nitro-2H-indazole;sulfane;tritium monohydride?
N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-N,2,3-trimethylindazol-6-amine;2,4-dichloropyrimidine;3,4-dimethylaniline;4-N-(2,3-dimethylindazol-6-yl)-2-N-(3,4-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine;2,3-dimethyl-6-nitroindazole;3-methyl-6-nitro-2H-indazole;sulfane;tritium monohydride has a molecular weight of 1610.58 g/mol, XLogP of 18.56, 10 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-N,2,3-trimethylindazol-6-amine;2,4-dichloropyrimidine;3,4-dimethylaniline;4-N-(2,3-dimethylindazol-6-yl)-2-N-(3,4-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine;2,3-dimethyl-6-nitroindazole;3-methyl-6-nitro-2H-indazole;sulfane;tritium monohydride is sourced from PubChem (CID 159737901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).