2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]acetonitrile;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-4,5-dichlorothiophene-2-sulfonamide;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-1,2-dimethylimidazole-4-sulfonamide;4-N-[2-(1,3-benzoxazol-2-ylamino)ethyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpropyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(4-phenylbutan-2-yl)pyrimidine-2,4-diamine

C136H162Cl4N40O9S5 — CID 162225653

About 2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]acetonitrile;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-4,5-dichlorothiophene-2-sulfonamide;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-1,2-dimethylimidazole-4-sulfonamide;4-N-[2-(1,3-benzoxazol-2-ylamino)ethyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpropyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(4-phenylbutan-2-yl)pyrimidine-2,4-diamine

2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]acetonitrile;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-4,5-dichlorothiophene-2-sulfonamide;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-1,2-dimethylimidazole-4-sulfonamide;4-N-[2-(1,3-benzoxazol-2-ylamino)ethyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpropyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(4-phenylbutan-2-yl)pyrimidine-2,4-diamine (PubChem CID 162225653) has the molecular formula C136H162Cl4N40O9S5 and a molecular weight of 2803.21 g/mol. Its IUPAC name is 2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]acetonitrile;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-4,5-dichlorothiophene-2-sulfonamide;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-1,2-dimethylimidazole-4-sulfonamide;4-N-[2-(1,3-benzoxazol-2-ylamino)ethyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpropyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(4-phenylbutan-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]acetonitrile;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-4,5-dichlorothiophene-2-sulfonamide;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-1,2-dimethylimidazole-4-sulfonamide;4-N-[2-(1,3-benzoxazol-2-ylamino)ethyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpropyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(4-phenylbutan-2-yl)pyrimidine-2,4-diamine
• PubChem CID: 162225653
• Molecular Formula: C136H162Cl4N40O9S5
• Molecular Weight: 2803.21 g/mol
• Exact Mass: 2799.08
• IUPAC Name: 2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]acetonitrile;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-4,5-dichlorothiophene-2-sulfonamide;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-1,2-dimethylimidazole-4-sulfonamide;4-N-[2-(1,3-benzoxazol-2-ylamino)ethyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpropyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(4-phenylbutan-2-yl)pyrimidine-2,4-diamine
• SMILES: Cc1cccc(-c2cc(NC(C)CCc3ccccc3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCC#N)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCCNS(=O)(=O)c3c(C)nn(C)c3Cl)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCCNS(=O)(=O)c3cc(Cl)c(Cl)s3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCCNS(=O)(=O)c3cn(C)c(C)n3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCCS(=O)(=O)c3c(C)nn(C)c3Cl)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCNc3nc4ccccc4o3)nc(N)n2)c1C
• InChI: InChI=1S/C22H26N4.C21H22N6O.C20H26ClN7O2S.C20H25ClN6O2S.C20H27N7O2S.C19H21Cl2N5O2S2.C14H15N5/c1-15-8-7-11-19(17(15)3)20-14-21(26-22(23)25-20)24-16(2)12-13-18-9-5-4-6-10-18;1-13-6-5-7-15(14(13)2)17-12-19(27-20(22)25-17)23-10-11-24-21-26-16-8-3-4-9-18(16)28-21;1-12-7-5-8-15(13(12)2)16-11-17(26-20(22)25-16)23-9-6-10-24-31(29,30)18-14(3)27-28(4)19(18)21;1-12-7-5-8-15(13(12)2)16-11-17(25-20(22)24-16)23-9-6-10-30(28,29)18-14(3)26-27(4)19(18)21;1-13-7-5-8-16(14(13)2)17-11-18(26-20(21)25-17)22-9-6-10-23-30(28,29)19-12-27(4)15(3)24-19;1-11-5-3-6-13(12(11)2)15-10-16(26-19(22)25-15)23-7-4-8-24-30(27,28)17-9-14(20)18(21)29-17;1-9-4-3-5-11(10(9)2)12-8-13(17-7-6-15)19-14(16)18-12/h4-11,14,16H,12-13H2,1-3H3,(H3,23,24,25,26);3-9,12H,10-11H2,1-2H3,(H,24,26)(H3,22,23,25,27);5,7-8,11,24H,6,9-10H2,1-4H3,(H3,22,23,25,26);5,7-8,11H,6,9-10H2,1-4H3,(H3,22,23,24,25);5,7-8,11-12,23H,6,9-10H2,1-4H3,(H3,21,22,25,26);3,5-6,9-10,24H,4,7-8H2,1-2H3,(H3,22,23,25,26);3-5,8H,7H2,1-2H3,(H3,16,17,18,19)
• InChIKey: ZUSLYWXDRYFXTG-UHFFFAOYSA-N
• XLogP: 23.85
• TPSA: 734.77 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 47
• Rotatable Bonds: 46
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2803.21
LogP ≤ 5	23.85
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]acetonitrile;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-4,5-dichlorothiophene-2-sulfonamide;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-1,2-dimethylimidazole-4-sulfonamide;4-N-[2-(1,3-benzoxazol-2-ylamino)ethyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpropyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(4-phenylbutan-2-yl)pyrimidine-2,4-diamine?

The IUPAC name of 2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]acetonitrile;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-4,5-dichlorothiophene-2-sulfonamide;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-1,2-dimethylimidazole-4-sulfonamide;4-N-[2-(1,3-benzoxazol-2-ylamino)ethyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpropyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(4-phenylbutan-2-yl)pyrimidine-2,4-diamine (CID 162225653) is 2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]acetonitrile;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-4,5-dichlorothiophene-2-sulfonamide;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-1,2-dimethylimidazole-4-sulfonamide;4-N-[2-(1,3-benzoxazol-2-ylamino)ethyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpropyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(4-phenylbutan-2-yl)pyrimidine-2,4-diamine.

What is the SMILES notation for 2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]acetonitrile;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-4,5-dichlorothiophene-2-sulfonamide;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-1,2-dimethylimidazole-4-sulfonamide;4-N-[2-(1,3-benzoxazol-2-ylamino)ethyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpropyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(4-phenylbutan-2-yl)pyrimidine-2,4-diamine?

The canonical SMILES for 2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]acetonitrile;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-4,5-dichlorothiophene-2-sulfonamide;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-1,2-dimethylimidazole-4-sulfonamide;4-N-[2-(1,3-benzoxazol-2-ylamino)ethyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpropyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(4-phenylbutan-2-yl)pyrimidine-2,4-diamine is Cc1cccc(-c2cc(NC(C)CCc3ccccc3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCC#N)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCCNS(=O)(=O)c3c(C)nn(C)c3Cl)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCCNS(=O)(=O)c3cc(Cl)c(Cl)s3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCCNS(=O)(=O)c3cn(C)c(C)n3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCCS(=O)(=O)c3c(C)nn(C)c3Cl)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCNc3nc4ccccc4o3)nc(N)n2)c1C.

What is the InChIKey of 2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]acetonitrile;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-4,5-dichlorothiophene-2-sulfonamide;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-1,2-dimethylimidazole-4-sulfonamide;4-N-[2-(1,3-benzoxazol-2-ylamino)ethyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpropyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(4-phenylbutan-2-yl)pyrimidine-2,4-diamine?

The InChIKey is ZUSLYWXDRYFXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4.C21H22N6O.C20H26ClN7O2S.C20H25ClN6O2S.C20H27N7O2S.C19H21Cl2N5O2S2.C14H15N5/c1-15-8-7-11-19(17(15)3)20-14-21(26-22(23)25-20)24-16(2)12-13-18-9-5-4-6-10-18;1-13-6-5-7-15(14(13)2)17-12-19(27-20(22)25-17)23-10-11-24-21-26-16-8-3-4-9-18(16)28-21;1-12-7-5-8-15(13(12)2)16-11-17(26-20(22)25-16)23-9-6-10-24-31(29,30)18-14(3)27-28(4)19(18)21;1-12-7-5-8-15(13(12)2)16-11-17(25-20(22)24-16)23-9-6-10-30(28,29)18-14(3)26-27(4)19(18)21;1-13-7-5-8-16(14(13)2)17-11-18(26-20(21)25-17)22-9-6-10-23-30(28,29)19-12-27(4)15(3)24-19;1-11-5-3-6-13(12(11)2)15-10-16(26-19(22)25-15)23-7-4-8-24-30(27,28)17-9-14(20)18(21)29-17;1-9-4-3-5-11(10(9)2)12-8-13(17-7-6-15)19-14(16)18-12/h4-11,14,16H,12-13H2,1-3H3,(H3,23,24,25,26);3-9,12H,10-11H2,1-2H3,(H,24,26)(H3,22,23,25,27);5,7-8,11,24H,6,9-10H2,1-4H3,(H3,22,23,25,26);5,7-8,11H,6,9-10H2,1-4H3,(H3,22,23,24,25);5,7-8,11-12,23H,6,9-10H2,1-4H3,(H3,21,22,25,26);3,5-6,9-10,24H,4,7-8H2,1-2H3,(H3,22,23,25,26);3-5,8H,7H2,1-2H3,(H3,16,17,18,19).

What are the key properties of 2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]acetonitrile;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-4,5-dichlorothiophene-2-sulfonamide;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-1,2-dimethylimidazole-4-sulfonamide;4-N-[2-(1,3-benzoxazol-2-ylamino)ethyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpropyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(4-phenylbutan-2-yl)pyrimidine-2,4-diamine?

2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]acetonitrile;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-4,5-dichlorothiophene-2-sulfonamide;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-1,2-dimethylimidazole-4-sulfonamide;4-N-[2-(1,3-benzoxazol-2-ylamino)ethyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpropyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(4-phenylbutan-2-yl)pyrimidine-2,4-diamine has a molecular weight of 2803.21 g/mol, XLogP of 23.85, 46 rotatable bonds, 18 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]acetonitrile;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-4,5-dichlorothiophene-2-sulfonamide;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-1,2-dimethylimidazole-4-sulfonamide;4-N-[2-(1,3-benzoxazol-2-ylamino)ethyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-N-[3-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpropyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-(4-phenylbutan-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 162225653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).