4-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pent-2-ynylsulfanyl]benzoic acid;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-4-hydroxy-3-methylbutan-1-one;[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[2-[[2-amino-6-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-methylsulfinylphenyl)ethyl]pyrimidine-2,4-diamine;4-N-[2-(4-methylsulfonylphenyl)ethyl]-6-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

C135H140Cl4F6N24O10S4 — CID 158454780

IUPAC4-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pent-2-ynylsulfanyl]benzoic acid;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-4-hydroxy-3-methylbutan-1-one;[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[2-[[2-amino-6-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-methylsulfinylphenyl)ethyl]pyrimidine-2,4-diamine;4-N-[2-(4-methylsulfonylphenyl)ethyl]-6-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCc1c(-c2cc(NCCc3ccc(S(C)(=O)=O)cc3)nc(N)n2)cccc1C(F)(F)F.Cc1c(-c2cc(NCCc3ccc(S(N)(=O)=O)cc3)nc(N)n2)cccc1C(F)(F)F.Cc1c(Cl)cccc1-c1cc(CCC#CCSc2ccc(C(=O)O)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(C(=O)CC(C)CO)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(C(=O)N3CCN(C)CC3)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2ccc(S(C)=O)cc2)nc(N)n1
InChIInChI=1S/C26H30ClN5O.C25H28ClN3O2.C23H20ClN3O2S.C21H21F3N4O2S.C20H21ClN4OS.C20H20F3N5O2S/c1-18-22(7-4-8-23(18)27)24-17-21(29-26(28)30-24)6-3-5-19-9-11-20(12-10-19)25(33)32-15-13-31(2)14-16-32;1-16(15-30)13-24(31)19-11-9-18(10-12-19)5-3-6-20-14-23(29-25(27)28-20)21-7-4-8-22(26)17(21)2;1-15-19(7-5-8-20(15)24)21-14-17(26-23(25)27-21)6-3-2-4-13-30-18-11-9-16(10-12-18)22(28)29;1-13-16(4-3-5-17(13)21(22,23)24)18-12-19(28-20(25)27-18)26-11-10-14-6-8-15(9-7-14)31(2,29)30;1-13-16(4-3-5-17(13)21)18-12-19(25-20(22)24-18)23-11-10-14-6-8-15(9-7-14)27(2)26;1-12-15(3-2-4-16(12)20(21,22)23)17-11-18(28-19(24)27-17)26-10-9-13-5-7-14(8-6-13)31(25,29)30/h4,7-12,17H,3,5-6,13-16H2,1-2H3,(H2,28,29,30);4,7-12,14,16,30H,3,5-6,13,15H2,1-2H3,(H2,27,28,29);5,7-12,14H,3,6,13H2,1H3,(H,28,29)(H2,25,26,27);3-9,12H,10-11H2,1-2H3,(H3,25,26,27,28);3-9,12H,10-11H2,1-2H3,(H3,22,23,24,25);2-8,11H,9-10H2,1H3,(H2,25,29,30)(H3,24,26,27,28)
InChIKeyHEKZJINJDGQCKH-UHFFFAOYSA-N
MW2642.83 g/mol
LogP25.97
Rot. Bonds39

About 4-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pent-2-ynylsulfanyl]benzoic acid;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-4-hydroxy-3-methylbutan-1-one;[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[2-[[2-amino-6-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-methylsulfinylphenyl)ethyl]pyrimidine-2,4-diamine;4-N-[2-(4-methylsulfonylphenyl)ethyl]-6-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

4-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pent-2-ynylsulfanyl]benzoic acid;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-4-hydroxy-3-methylbutan-1-one;[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[2-[[2-amino-6-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-methylsulfinylphenyl)ethyl]pyrimidine-2,4-diamine;4-N-[2-(4-methylsulfonylphenyl)ethyl]-6-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 158454780) has the molecular formula C135H140Cl4F6N24O10S4 and a molecular weight of 2642.83 g/mol. Its IUPAC name is 4-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pent-2-ynylsulfanyl]benzoic acid;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-4-hydroxy-3-methylbutan-1-one;[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[2-[[2-amino-6-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-methylsulfinylphenyl)ethyl]pyrimidine-2,4-diamine;4-N-[2-(4-methylsulfonylphenyl)ethyl]-6-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pent-2-ynylsulfanyl]benzoic acid;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-4-hydroxy-3-methylbutan-1-one;[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[2-[[2-amino-6-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-methylsulfinylphenyl)ethyl]pyrimidine-2,4-diamine;4-N-[2-(4-methylsulfonylphenyl)ethyl]-6-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID158454780
Molecular FormulaC135H140Cl4F6N24O10S4
Molecular Weight2642.83 g/mol
Exact Mass2638.87
IUPAC Name4-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pent-2-ynylsulfanyl]benzoic acid;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-4-hydroxy-3-methylbutan-1-one;[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[2-[[2-amino-6-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-methylsulfinylphenyl)ethyl]pyrimidine-2,4-diamine;4-N-[2-(4-methylsulfonylphenyl)ethyl]-6-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCc1c(-c2cc(NCCc3ccc(S(C)(=O)=O)cc3)nc(N)n2)cccc1C(F)(F)F.Cc1c(-c2cc(NCCc3ccc(S(N)(=O)=O)cc3)nc(N)n2)cccc1C(F)(F)F.Cc1c(Cl)cccc1-c1cc(CCC#CCSc2ccc(C(=O)O)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(C(=O)CC(C)CO)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(C(=O)N3CCN(C)CC3)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2ccc(S(C)=O)cc2)nc(N)n1
InChIInChI=1S/C26H30ClN5O.C25H28ClN3O2.C23H20ClN3O2S.C21H21F3N4O2S.C20H21ClN4OS.C20H20F3N5O2S/c1-18-22(7-4-8-23(18)27)24-17-21(29-26(28)30-24)6-3-5-19-9-11-20(12-10-19)25(33)32-15-13-31(2)14-16-32;1-16(15-30)13-24(31)19-11-9-18(10-12-19)5-3-6-20-14-23(29-25(27)28-20)21-7-4-8-22(26)17(21)2;1-15-19(7-5-8-20(15)24)21-14-17(26-23(25)27-21)6-3-2-4-13-30-18-11-9-16(10-12-18)22(28)29;1-13-16(4-3-5-17(13)21(22,23)24)18-12-19(28-20(25)27-18)26-11-10-14-6-8-15(9-7-14)31(2,29)30;1-13-16(4-3-5-17(13)21)18-12-19(25-20(22)24-18)23-11-10-14-6-8-15(9-7-14)27(2)26;1-12-15(3-2-4-16(12)20(21,22)23)17-11-18(28-19(24)27-17)26-10-9-13-5-7-14(8-6-13)31(25,29)30/h4,7-12,17H,3,5-6,13-16H2,1-2H3,(H2,28,29,30);4,7-12,14,16,30H,3,5-6,13,15H2,1-2H3,(H2,27,28,29);5,7-12,14H,3,6,13H2,1H3,(H,28,29)(H2,25,26,27);3-9,12H,10-11H2,1-2H3,(H3,25,26,27,28);3-9,12H,10-11H2,1-2H3,(H3,22,23,24,25);2-8,11H,9-10H2,1H3,(H2,25,29,30)(H3,24,26,27,28)
InChIKeyHEKZJINJDGQCKH-UHFFFAOYSA-N
XLogP25.97
TPSA556.41 Ų
H-Bond Donors12
H-Bond Acceptors32
Rotatable Bonds39
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002642.83
LogP ≤ 525.97
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze 4-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pent-2-ynylsulfanyl]benzoic acid;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-4-hydroxy-3-methylbutan-1-one;[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[2-[[2-amino-6-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-methylsulfinylphenyl)ethyl]pyrimidine-2,4-diamine;4-N-[2-(4-methylsulfonylphenyl)ethyl]-6-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

5-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]-1-(3-fluorophenyl)pentan-2-one;4-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]-1-morpholin-4-ylbutan-1-one;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]-1,3,5-triazine-2,4-diamine;3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-(4-methylsulfonylphenyl)propan-1-ol;2-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propylamino]-4-(trifluoromethyl)pyrimidine-5-carboxamide;6-(3-chloro-2-methylphenyl)-4-N-[3-(3-fluorophenyl)sulfonylpropyl]pyrimidine-2,4-diamine
CID 158276644
2-[3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]guanidine;6-(3-chloro-2-methylphenyl)-4-N-[2-[(4-methylsulfonylphenyl)methylsulfinyl]ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-[(4-methylsulfonylphenyl)methylsulfonyl]ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(2-phenylethylsulfinyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(2-phenylethylsulfonyl)ethyl]pyrimidine-2,4-diamine;ethyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate
CID 157115222
Ethyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;2-hydroxyethyl 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzoate;methyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate;methyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethylsulfanylmethyl]benzoate;2-methylsulfonylethyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate;propyl 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzoate
CID 159395582
4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide;5-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]-1-(3-fluorophenyl)pentan-2-one;4-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]-1-morpholin-4-ylbutan-1-one;3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-(4-methylsulfonylphenyl)propan-1-ol;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfinylanilino)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-propan-2-ylsulfonylphenyl)propyl]pyrimidine-2,4-diamine
CID 162262762

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pent-2-ynylsulfanyl]benzoic acid;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-4-hydroxy-3-methylbutan-1-one;[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[2-[[2-amino-6-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-methylsulfinylphenyl)ethyl]pyrimidine-2,4-diamine;4-N-[2-(4-methylsulfonylphenyl)ethyl]-6-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pent-2-ynylsulfanyl]benzoic acid;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-4-hydroxy-3-methylbutan-1-one;[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[2-[[2-amino-6-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-methylsulfinylphenyl)ethyl]pyrimidine-2,4-diamine;4-N-[2-(4-methylsulfonylphenyl)ethyl]-6-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 158454780) is 4-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pent-2-ynylsulfanyl]benzoic acid;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-4-hydroxy-3-methylbutan-1-one;[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[2-[[2-amino-6-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-methylsulfinylphenyl)ethyl]pyrimidine-2,4-diamine;4-N-[2-(4-methylsulfonylphenyl)ethyl]-6-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pent-2-ynylsulfanyl]benzoic acid;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-4-hydroxy-3-methylbutan-1-one;[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[2-[[2-amino-6-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-methylsulfinylphenyl)ethyl]pyrimidine-2,4-diamine;4-N-[2-(4-methylsulfonylphenyl)ethyl]-6-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pent-2-ynylsulfanyl]benzoic acid;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-4-hydroxy-3-methylbutan-1-one;[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[2-[[2-amino-6-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-methylsulfinylphenyl)ethyl]pyrimidine-2,4-diamine;4-N-[2-(4-methylsulfonylphenyl)ethyl]-6-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is Cc1c(-c2cc(NCCc3ccc(S(C)(=O)=O)cc3)nc(N)n2)cccc1C(F)(F)F.Cc1c(-c2cc(NCCc3ccc(S(N)(=O)=O)cc3)nc(N)n2)cccc1C(F)(F)F.Cc1c(Cl)cccc1-c1cc(CCC#CCSc2ccc(C(=O)O)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(C(=O)CC(C)CO)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(C(=O)N3CCN(C)CC3)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2ccc(S(C)=O)cc2)nc(N)n1.
What is the InChIKey of 4-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pent-2-ynylsulfanyl]benzoic acid;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-4-hydroxy-3-methylbutan-1-one;[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[2-[[2-amino-6-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-methylsulfinylphenyl)ethyl]pyrimidine-2,4-diamine;4-N-[2-(4-methylsulfonylphenyl)ethyl]-6-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is HEKZJINJDGQCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN5O.C25H28ClN3O2.C23H20ClN3O2S.C21H21F3N4O2S.C20H21ClN4OS.C20H20F3N5O2S/c1-18-22(7-4-8-23(18)27)24-17-21(29-26(28)30-24)6-3-5-19-9-11-20(12-10-19)25(33)32-15-13-31(2)14-16-32;1-16(15-30)13-24(31)19-11-9-18(10-12-19)5-3-6-20-14-23(29-25(27)28-20)21-7-4-8-22(26)17(21)2;1-15-19(7-5-8-20(15)24)21-14-17(26-23(25)27-21)6-3-2-4-13-30-18-11-9-16(10-12-18)22(28)29;1-13-16(4-3-5-17(13)21(22,23)24)18-12-19(28-20(25)27-18)26-11-10-14-6-8-15(9-7-14)31(2,29)30;1-13-16(4-3-5-17(13)21)18-12-19(25-20(22)24-18)23-11-10-14-6-8-15(9-7-14)27(2)26;1-12-15(3-2-4-16(12)20(21,22)23)17-11-18(28-19(24)27-17)26-10-9-13-5-7-14(8-6-13)31(25,29)30/h4,7-12,17H,3,5-6,13-16H2,1-2H3,(H2,28,29,30);4,7-12,14,16,30H,3,5-6,13,15H2,1-2H3,(H2,27,28,29);5,7-12,14H,3,6,13H2,1H3,(H,28,29)(H2,25,26,27);3-9,12H,10-11H2,1-2H3,(H3,25,26,27,28);3-9,12H,10-11H2,1-2H3,(H3,22,23,24,25);2-8,11H,9-10H2,1H3,(H2,25,29,30)(H3,24,26,27,28).
What are the key properties of 4-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pent-2-ynylsulfanyl]benzoic acid;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-4-hydroxy-3-methylbutan-1-one;[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[2-[[2-amino-6-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-methylsulfinylphenyl)ethyl]pyrimidine-2,4-diamine;4-N-[2-(4-methylsulfonylphenyl)ethyl]-6-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
4-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pent-2-ynylsulfanyl]benzoic acid;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-4-hydroxy-3-methylbutan-1-one;[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[2-[[2-amino-6-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-methylsulfinylphenyl)ethyl]pyrimidine-2,4-diamine;4-N-[2-(4-methylsulfonylphenyl)ethyl]-6-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 2642.83 g/mol, XLogP of 25.97, 39 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pent-2-ynylsulfanyl]benzoic acid;1-[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-4-hydroxy-3-methylbutan-1-one;[4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[2-[[2-amino-6-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-methylsulfinylphenyl)ethyl]pyrimidine-2,4-diamine;4-N-[2-(4-methylsulfonylphenyl)ethyl]-6-[2-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 158454780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).