4-N-(1-benzylindazol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-methoxybenzoic acid;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methylanilino)pyrimidin-4-yl]amino]-3-propan-2-ylsulfonylbenzoic acid;2-N-(4-dimethylphosphorylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine

C113H116Cl2F9N22O15P5S2 — CID 159745846

IUPAC4-N-(1-benzylindazol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-methoxybenzoic acid;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methylanilino)pyrimidin-4-yl]amino]-3-propan-2-ylsulfonylbenzoic acid;2-N-(4-dimethylphosphorylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
SMILESCC(C)S(=O)(=O)c1ccccc1Nc1ccnc(Nc2ccc(P(C)(C)=O)cc2)n1.COc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Nc2ccc(C(=O)O)cc2OC)n1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3cccc(C(F)(F)F)c3)n2)cc1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc4c(cnn4Cc4ccccc4)c3)n2)cc1.Cc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Nc2ccc(C(=O)O)cc2S(=O)(=O)C(C)C)n1
InChIInChI=1S/C27H24F3N6OP.C23H26ClN4O5PS.C21H22ClN4O5P.C21H19F6N4OP.C21H25N4O3PS/c1-38(2,37)22-11-8-20(9-12-22)34-26-31-16-23(27(28,29)30)25(35-26)33-21-10-13-24-19(14-21)15-32-36(24)17-18-6-4-3-5-7-18;1-13(2)35(32,33)20-11-15(22(29)30)6-8-19(20)26-21-17(24)12-25-23(28-21)27-18-9-7-16(10-14(18)3)34(4,5)31;1-30-17-9-12(20(27)28)5-7-15(17)24-19-14(22)11-23-21(26-19)25-16-8-6-13(32(3,4)29)10-18(16)31-2;1-33(2,32)16-8-6-15(7-9-16)30-19-29-12-17(21(25,26)27)18(31-19)28-11-13-4-3-5-14(10-13)20(22,23)24;1-15(2)30(27,28)19-8-6-5-7-18(19)24-20-13-14-22-21(25-20)23-16-9-11-17(12-10-16)29(3,4)26/h3-16H,17H2,1-2H3,(H2,31,33,34,35);6-13H,1-5H3,(H,29,30)(H2,25,26,27,28);5-11H,1-4H3,(H,27,28)(H2,23,24,25,26);3-10,12H,11H2,1-2H3,(H2,28,29,30,31);5-15H,1-4H3,(H2,22,23,24,25)
InChIKeyNDAMRJWBIYXYBJ-UHFFFAOYSA-N
MW2483.20 g/mol
LogP26.77
Rot. Bonds36

About 4-N-(1-benzylindazol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-methoxybenzoic acid;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methylanilino)pyrimidin-4-yl]amino]-3-propan-2-ylsulfonylbenzoic acid;2-N-(4-dimethylphosphorylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine

4-N-(1-benzylindazol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-methoxybenzoic acid;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methylanilino)pyrimidin-4-yl]amino]-3-propan-2-ylsulfonylbenzoic acid;2-N-(4-dimethylphosphorylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine (PubChem CID 159745846) has the molecular formula C113H116Cl2F9N22O15P5S2 and a molecular weight of 2483.20 g/mol. Its IUPAC name is 4-N-(1-benzylindazol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-methoxybenzoic acid;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methylanilino)pyrimidin-4-yl]amino]-3-propan-2-ylsulfonylbenzoic acid;2-N-(4-dimethylphosphorylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1-benzylindazol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-methoxybenzoic acid;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methylanilino)pyrimidin-4-yl]amino]-3-propan-2-ylsulfonylbenzoic acid;2-N-(4-dimethylphosphorylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
PubChem CID159745846
Molecular FormulaC113H116Cl2F9N22O15P5S2
Molecular Weight2483.20 g/mol
Exact Mass2480.64
IUPAC Name4-N-(1-benzylindazol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-methoxybenzoic acid;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methylanilino)pyrimidin-4-yl]amino]-3-propan-2-ylsulfonylbenzoic acid;2-N-(4-dimethylphosphorylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
SMILESCC(C)S(=O)(=O)c1ccccc1Nc1ccnc(Nc2ccc(P(C)(C)=O)cc2)n1.COc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Nc2ccc(C(=O)O)cc2OC)n1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3cccc(C(F)(F)F)c3)n2)cc1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc4c(cnn4Cc4ccccc4)c3)n2)cc1.Cc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Nc2ccc(C(=O)O)cc2S(=O)(=O)C(C)C)n1
InChIInChI=1S/C27H24F3N6OP.C23H26ClN4O5PS.C21H22ClN4O5P.C21H19F6N4OP.C21H25N4O3PS/c1-38(2,37)22-11-8-20(9-12-22)34-26-31-16-23(27(28,29)30)25(35-26)33-21-10-13-24-19(14-21)15-32-36(24)17-18-6-4-3-5-7-18;1-13(2)35(32,33)20-11-15(22(29)30)6-8-19(20)26-21-17(24)12-25-23(28-21)27-18-9-7-16(10-14(18)3)34(4,5)31;1-30-17-9-12(20(27)28)5-7-15(17)24-19-14(22)11-23-21(26-19)25-16-8-6-13(32(3,4)29)10-18(16)31-2;1-33(2,32)16-8-6-15(7-9-16)30-19-29-12-17(21(25,26)27)18(31-19)28-11-13-4-3-5-14(10-13)20(22,23)24;1-15(2)30(27,28)19-8-6-5-7-18(19)24-20-13-14-22-21(25-20)23-16-9-11-17(12-10-16)29(3,4)26/h3-16H,17H2,1-2H3,(H2,31,33,34,35);6-13H,1-5H3,(H,29,30)(H2,25,26,27,28);5-11H,1-4H3,(H,27,28)(H2,23,24,25,26);3-10,12H,11H2,1-2H3,(H2,28,29,30,31);5-15H,1-4H3,(H2,22,23,24,25)
InChIKeyNDAMRJWBIYXYBJ-UHFFFAOYSA-N
XLogP26.77
TPSA513.71 Ų
H-Bond Donors12
H-Bond Acceptors35
Rotatable Bonds36
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002483.20
LogP ≤ 526.77
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze 4-N-(1-benzylindazol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-methoxybenzoic acid;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methylanilino)pyrimidin-4-yl]amino]-3-propan-2-ylsulfonylbenzoic acid;2-N-(4-dimethylphosphorylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-[[5-chloro-2-(4-dimethylphosphoryl-2-methylanilino)pyrimidin-4-yl]amino]-3-propan-2-ylsulfonylbenzoic acid;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4,5-triamine;2-N-(4-dimethylphosphorylphenyl)-4-N-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 157791629
4-[[5-chloro-2-(4-dimethylphosphoryl-2-methylanilino)pyrimidin-4-yl]amino]-3-propan-2-ylsulfonylbenzoic acid;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4,5-triamine;2-N-(4-dimethylphosphorylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 158407926
4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-methoxybenzoic acid;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methylanilino)pyrimidin-4-yl]amino]-3-propan-2-ylsulfonylbenzoic acid;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4,5-triamine;2-N-(4-dimethylphosphorylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 159340785
4-N-(1-adamantyl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-(1-benzylindazol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-methoxybenzoic acid;5-chloro-4-N-(5-dimethylphosphoryl-3-methoxypyrazin-2-yl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine
CID 159650519
4-[[5-chloro-2-(4-dimethylphosphoryl-2-methylanilino)pyrimidin-4-yl]amino]-3-propan-2-ylsulfonylbenzoic acid;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4,5-triamine;2-N-(4-dimethylphosphorylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 160462520
4-N-(1-benzylindazol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-methoxybenzoic acid;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 160594665
4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-methoxybenzoic acid;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methylanilino)pyrimidin-4-yl]amino]-3-propan-2-ylsulfonylbenzoic acid;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4,5-triamine;2-N-(4-dimethylphosphorylphenyl)-4-N-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 160988324

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-benzylindazol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-methoxybenzoic acid;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methylanilino)pyrimidin-4-yl]amino]-3-propan-2-ylsulfonylbenzoic acid;2-N-(4-dimethylphosphorylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1-benzylindazol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-methoxybenzoic acid;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methylanilino)pyrimidin-4-yl]amino]-3-propan-2-ylsulfonylbenzoic acid;2-N-(4-dimethylphosphorylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine (CID 159745846) is 4-N-(1-benzylindazol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-methoxybenzoic acid;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methylanilino)pyrimidin-4-yl]amino]-3-propan-2-ylsulfonylbenzoic acid;2-N-(4-dimethylphosphorylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1-benzylindazol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-methoxybenzoic acid;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methylanilino)pyrimidin-4-yl]amino]-3-propan-2-ylsulfonylbenzoic acid;2-N-(4-dimethylphosphorylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1-benzylindazol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-methoxybenzoic acid;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methylanilino)pyrimidin-4-yl]amino]-3-propan-2-ylsulfonylbenzoic acid;2-N-(4-dimethylphosphorylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine is CC(C)S(=O)(=O)c1ccccc1Nc1ccnc(Nc2ccc(P(C)(C)=O)cc2)n1.COc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Nc2ccc(C(=O)O)cc2OC)n1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3cccc(C(F)(F)F)c3)n2)cc1.CP(C)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc4c(cnn4Cc4ccccc4)c3)n2)cc1.Cc1cc(P(C)(C)=O)ccc1Nc1ncc(Cl)c(Nc2ccc(C(=O)O)cc2S(=O)(=O)C(C)C)n1.
What is the InChIKey of 4-N-(1-benzylindazol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-methoxybenzoic acid;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methylanilino)pyrimidin-4-yl]amino]-3-propan-2-ylsulfonylbenzoic acid;2-N-(4-dimethylphosphorylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine?
The InChIKey is NDAMRJWBIYXYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N6OP.C23H26ClN4O5PS.C21H22ClN4O5P.C21H19F6N4OP.C21H25N4O3PS/c1-38(2,37)22-11-8-20(9-12-22)34-26-31-16-23(27(28,29)30)25(35-26)33-21-10-13-24-19(14-21)15-32-36(24)17-18-6-4-3-5-7-18;1-13(2)35(32,33)20-11-15(22(29)30)6-8-19(20)26-21-17(24)12-25-23(28-21)27-18-9-7-16(10-14(18)3)34(4,5)31;1-30-17-9-12(20(27)28)5-7-15(17)24-19-14(22)11-23-21(26-19)25-16-8-6-13(32(3,4)29)10-18(16)31-2;1-33(2,32)16-8-6-15(7-9-16)30-19-29-12-17(21(25,26)27)18(31-19)28-11-13-4-3-5-14(10-13)20(22,23)24;1-15(2)30(27,28)19-8-6-5-7-18(19)24-20-13-14-22-21(25-20)23-16-9-11-17(12-10-16)29(3,4)26/h3-16H,17H2,1-2H3,(H2,31,33,34,35);6-13H,1-5H3,(H,29,30)(H2,25,26,27,28);5-11H,1-4H3,(H,27,28)(H2,23,24,25,26);3-10,12H,11H2,1-2H3,(H2,28,29,30,31);5-15H,1-4H3,(H2,22,23,24,25).
What are the key properties of 4-N-(1-benzylindazol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-methoxybenzoic acid;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methylanilino)pyrimidin-4-yl]amino]-3-propan-2-ylsulfonylbenzoic acid;2-N-(4-dimethylphosphorylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine?
4-N-(1-benzylindazol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-methoxybenzoic acid;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methylanilino)pyrimidin-4-yl]amino]-3-propan-2-ylsulfonylbenzoic acid;2-N-(4-dimethylphosphorylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine has a molecular weight of 2483.20 g/mol, XLogP of 26.77, 36 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-benzylindazol-5-yl)-2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methoxyanilino)pyrimidin-4-yl]amino]-3-methoxybenzoic acid;4-[[5-chloro-2-(4-dimethylphosphoryl-2-methylanilino)pyrimidin-4-yl]amino]-3-propan-2-ylsulfonylbenzoic acid;2-N-(4-dimethylphosphorylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 159745846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).