4-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethoxy]benzonitrile;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzonitrile;4-(2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-pyridin-4-ylpropyl)pyrimidin-2-amine

C103H112N22O3S — CID 158949673

About 4-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethoxy]benzonitrile;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzonitrile;4-(2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-pyridin-4-ylpropyl)pyrimidin-2-amine

4-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethoxy]benzonitrile;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzonitrile;4-(2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-pyridin-4-ylpropyl)pyrimidin-2-amine (PubChem CID 158949673) has the molecular formula C103H112N22O3S and a molecular weight of 1738.25 g/mol. Its IUPAC name is 4-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethoxy]benzonitrile;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzonitrile;4-(2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-pyridin-4-ylpropyl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethoxy]benzonitrile;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzonitrile;4-(2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-pyridin-4-ylpropyl)pyrimidin-2-amine
• PubChem CID: 158949673
• Molecular Formula: C103H112N22O3S
• Molecular Weight: 1738.25 g/mol
• Exact Mass: 1736.90
• IUPAC Name: 4-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethoxy]benzonitrile;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzonitrile;4-(2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-pyridin-4-ylpropyl)pyrimidin-2-amine
• SMILES: Cc1cccc(-c2cc(CCCc3ccc(C#N)cc3)nc(N)n2)c1C.Cc1cccc(-c2cc(CCCc3ccc(S(C)(=O)=O)cc3)nc(N)n2)c1C.Cc1cccc(-c2cc(CCCc3ccncc3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCOc3ccc(C#N)cc3)nc(N)n2)c1C.Cc1nc(CCCc2cc(-c3cccc(C)c3C)nc(N)n2)n[nH]1
• InChI: InChI=1S/C22H22N4.C22H25N3O2S.C21H21N5O.C20H22N4.C18H22N6/c1-15-5-3-8-20(16(15)2)21-13-19(25-22(24)26-21)7-4-6-17-9-11-18(14-23)12-10-17;1-15-6-4-9-20(16(15)2)21-14-18(24-22(23)25-21)8-5-7-17-10-12-19(13-11-17)28(3,26)27;1-14-4-3-5-18(15(14)2)19-12-20(26-21(23)25-19)24-10-11-27-17-8-6-16(13-22)7-9-17;1-14-5-3-8-18(15(14)2)19-13-17(23-20(21)24-19)7-4-6-16-9-11-22-12-10-16;1-11-6-4-8-15(12(11)2)16-10-14(21-18(19)22-16)7-5-9-17-20-13(3)23-24-17/h3,5,8-13H,4,6-7H2,1-2H3,(H2,24,25,26);4,6,9-14H,5,7-8H2,1-3H3,(H2,23,24,25);3-9,12H,10-11H2,1-2H3,(H3,23,24,25,26);3,5,8-13H,4,6-7H2,1-2H3,(H2,21,23,24);4,6,8,10H,5,7,9H2,1-3H3,(H2,19,21,22)(H,20,23,24)
• InChIKey: JLGOPGSMQNMIQK-UHFFFAOYSA-N
• XLogP: 18.87
• TPSA: 416.44 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 27
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1738.25
LogP ≤ 5	18.87
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethoxy]benzonitrile;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzonitrile;4-(2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-pyridin-4-ylpropyl)pyrimidin-2-amine?

The IUPAC name of 4-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethoxy]benzonitrile;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzonitrile;4-(2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-pyridin-4-ylpropyl)pyrimidin-2-amine (CID 158949673) is 4-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethoxy]benzonitrile;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzonitrile;4-(2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-pyridin-4-ylpropyl)pyrimidin-2-amine.

What is the SMILES notation for 4-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethoxy]benzonitrile;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzonitrile;4-(2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-pyridin-4-ylpropyl)pyrimidin-2-amine?

The canonical SMILES for 4-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethoxy]benzonitrile;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzonitrile;4-(2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-pyridin-4-ylpropyl)pyrimidin-2-amine is Cc1cccc(-c2cc(CCCc3ccc(C#N)cc3)nc(N)n2)c1C.Cc1cccc(-c2cc(CCCc3ccc(S(C)(=O)=O)cc3)nc(N)n2)c1C.Cc1cccc(-c2cc(CCCc3ccncc3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCOc3ccc(C#N)cc3)nc(N)n2)c1C.Cc1nc(CCCc2cc(-c3cccc(C)c3C)nc(N)n2)n[nH]1.

What is the InChIKey of 4-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethoxy]benzonitrile;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzonitrile;4-(2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-pyridin-4-ylpropyl)pyrimidin-2-amine?

The InChIKey is JLGOPGSMQNMIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4.C22H25N3O2S.C21H21N5O.C20H22N4.C18H22N6/c1-15-5-3-8-20(16(15)2)21-13-19(25-22(24)26-21)7-4-6-17-9-11-18(14-23)12-10-17;1-15-6-4-9-20(16(15)2)21-14-18(24-22(23)25-21)8-5-7-17-10-12-19(13-11-17)28(3,26)27;1-14-4-3-5-18(15(14)2)19-12-20(26-21(23)25-19)24-10-11-27-17-8-6-16(13-22)7-9-17;1-14-5-3-8-18(15(14)2)19-13-17(23-20(21)24-19)7-4-6-16-9-11-22-12-10-16;1-11-6-4-8-15(12(11)2)16-10-14(21-18(19)22-16)7-5-9-17-20-13(3)23-24-17/h3,5,8-13H,4,6-7H2,1-2H3,(H2,24,25,26);4,6,9-14H,5,7-8H2,1-3H3,(H2,23,24,25);3-9,12H,10-11H2,1-2H3,(H3,23,24,25,26);3,5,8-13H,4,6-7H2,1-2H3,(H2,21,23,24);4,6,8,10H,5,7,9H2,1-3H3,(H2,19,21,22)(H,20,23,24).

What are the key properties of 4-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethoxy]benzonitrile;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzonitrile;4-(2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-pyridin-4-ylpropyl)pyrimidin-2-amine?

4-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethoxy]benzonitrile;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzonitrile;4-(2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-pyridin-4-ylpropyl)pyrimidin-2-amine has a molecular weight of 1738.25 g/mol, XLogP of 18.87, 27 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethoxy]benzonitrile;4-[3-[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]propyl]benzonitrile;4-(2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-pyridin-4-ylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 158949673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).