4-[2-(3-cyclopropyl-1H-pyrazol-5-yl)ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(5-methoxy-3H-indol-2-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[2-(1-pyrimidin-2-ylpiperidin-3-yl)ethyl]pyrimidin-2-amine

C125H145N35OS — CID 158229534

About 4-[2-(3-cyclopropyl-1H-pyrazol-5-yl)ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(5-methoxy-3H-indol-2-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[2-(1-pyrimidin-2-ylpiperidin-3-yl)ethyl]pyrimidin-2-amine

4-[2-(3-cyclopropyl-1H-pyrazol-5-yl)ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(5-methoxy-3H-indol-2-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[2-(1-pyrimidin-2-ylpiperidin-3-yl)ethyl]pyrimidin-2-amine (PubChem CID 158229534) has the molecular formula C125H145N35OS and a molecular weight of 2185.85 g/mol. Its IUPAC name is 4-[2-(3-cyclopropyl-1H-pyrazol-5-yl)ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(5-methoxy-3H-indol-2-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[2-(1-pyrimidin-2-ylpiperidin-3-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-[2-(3-cyclopropyl-1H-pyrazol-5-yl)ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(5-methoxy-3H-indol-2-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[2-(1-pyrimidin-2-ylpiperidin-3-yl)ethyl]pyrimidin-2-amine
• PubChem CID: 158229534
• Molecular Formula: C125H145N35OS
• Molecular Weight: 2185.85 g/mol
• Exact Mass: 2184.21
• IUPAC Name: 4-[2-(3-cyclopropyl-1H-pyrazol-5-yl)ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(5-methoxy-3H-indol-2-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[2-(1-pyrimidin-2-ylpiperidin-3-yl)ethyl]pyrimidin-2-amine
• SMILES: COc1ccc2c(c1)CC(CCNc1cc(-c3cccc(C)c3C)nc(N)n1)=N2.Cc1cc(C)n(CCCNc2cc(-c3cccc(C)c3C)nc(N)n2)n1.Cc1cccc(-c2cc(CCC3CCCN(c4ncccn4)C3)nc(N)n2)c1C.Cc1cccc(-c2cc(CCc3cc(C4CC4)n[nH]3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCc3nc(-c4ccncc4)n[nH]3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCc3scnc3C)nc(N)n2)c1C
• InChI: InChI=1S/C23H28N6.C23H25N5O.C21H22N8.C20H26N6.C20H23N5.C18H21N5S/c1-16-6-3-8-20(17(16)2)21-14-19(27-22(24)28-21)10-9-18-7-4-13-29(15-18)23-25-11-5-12-26-23;1-14-5-4-6-19(15(14)2)21-13-22(28-23(24)27-21)25-10-9-17-11-16-12-18(29-3)7-8-20(16)26-17;1-13-4-3-5-16(14(13)2)17-12-19(27-21(22)25-17)24-11-8-18-26-20(29-28-18)15-6-9-23-10-7-15;1-13-7-5-8-17(16(13)4)18-12-19(24-20(21)23-18)22-9-6-10-26-15(3)11-14(2)25-26;1-12-4-3-5-17(13(12)2)19-10-15(22-20(21)23-19)8-9-16-11-18(25-24-16)14-6-7-14;1-11-5-4-6-14(12(11)2)15-9-17(23-18(19)22-15)20-8-7-16-13(3)21-10-24-16/h3,5-6,8,11-12,14,18H,4,7,9-10,13,15H2,1-2H3,(H2,24,27,28);4-8,12-13H,9-11H2,1-3H3,(H3,24,25,27,28);3-7,9-10,12H,8,11H2,1-2H3,(H,26,28,29)(H3,22,24,25,27);5,7-8,11-12H,6,9-10H2,1-4H3,(H3,21,22,23,24);3-5,10-11,14H,6-9H2,1-2H3,(H,24,25)(H2,21,22,23);4-6,9-10H,7-8H2,1-3H3,(H3,19,20,22,23)
• InChIKey: GEEZCVUGOXBMIH-UHFFFAOYSA-N
• XLogP: 22.79
• TPSA: 523.38 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 35
• Rotatable Bonds: 33
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2185.85
LogP ≤ 5	22.79
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-cyclopropyl-1H-pyrazol-5-yl)ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(5-methoxy-3H-indol-2-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[2-(1-pyrimidin-2-ylpiperidin-3-yl)ethyl]pyrimidin-2-amine?

The IUPAC name of 4-[2-(3-cyclopropyl-1H-pyrazol-5-yl)ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(5-methoxy-3H-indol-2-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[2-(1-pyrimidin-2-ylpiperidin-3-yl)ethyl]pyrimidin-2-amine (CID 158229534) is 4-[2-(3-cyclopropyl-1H-pyrazol-5-yl)ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(5-methoxy-3H-indol-2-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[2-(1-pyrimidin-2-ylpiperidin-3-yl)ethyl]pyrimidin-2-amine.

What is the SMILES notation for 4-[2-(3-cyclopropyl-1H-pyrazol-5-yl)ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(5-methoxy-3H-indol-2-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[2-(1-pyrimidin-2-ylpiperidin-3-yl)ethyl]pyrimidin-2-amine?

The canonical SMILES for 4-[2-(3-cyclopropyl-1H-pyrazol-5-yl)ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(5-methoxy-3H-indol-2-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[2-(1-pyrimidin-2-ylpiperidin-3-yl)ethyl]pyrimidin-2-amine is COc1ccc2c(c1)CC(CCNc1cc(-c3cccc(C)c3C)nc(N)n1)=N2.Cc1cc(C)n(CCCNc2cc(-c3cccc(C)c3C)nc(N)n2)n1.Cc1cccc(-c2cc(CCC3CCCN(c4ncccn4)C3)nc(N)n2)c1C.Cc1cccc(-c2cc(CCc3cc(C4CC4)n[nH]3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCc3nc(-c4ccncc4)n[nH]3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCc3scnc3C)nc(N)n2)c1C.

What is the InChIKey of 4-[2-(3-cyclopropyl-1H-pyrazol-5-yl)ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(5-methoxy-3H-indol-2-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[2-(1-pyrimidin-2-ylpiperidin-3-yl)ethyl]pyrimidin-2-amine?

The InChIKey is GEEZCVUGOXBMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6.C23H25N5O.C21H22N8.C20H26N6.C20H23N5.C18H21N5S/c1-16-6-3-8-20(17(16)2)21-14-19(27-22(24)28-21)10-9-18-7-4-13-29(15-18)23-25-11-5-12-26-23;1-14-5-4-6-19(15(14)2)21-13-22(28-23(24)27-21)25-10-9-17-11-16-12-18(29-3)7-8-20(16)26-17;1-13-4-3-5-16(14(13)2)17-12-19(27-21(22)25-17)24-11-8-18-26-20(29-28-18)15-6-9-23-10-7-15;1-13-7-5-8-17(16(13)4)18-12-19(24-20(21)23-18)22-9-6-10-26-15(3)11-14(2)25-26;1-12-4-3-5-17(13(12)2)19-10-15(22-20(21)23-19)8-9-16-11-18(25-24-16)14-6-7-14;1-11-5-4-6-14(12(11)2)15-9-17(23-18(19)22-15)20-8-7-16-13(3)21-10-24-16/h3,5-6,8,11-12,14,18H,4,7,9-10,13,15H2,1-2H3,(H2,24,27,28);4-8,12-13H,9-11H2,1-3H3,(H3,24,25,27,28);3-7,9-10,12H,8,11H2,1-2H3,(H,26,28,29)(H3,22,24,25,27);5,7-8,11-12H,6,9-10H2,1-4H3,(H3,21,22,23,24);3-5,10-11,14H,6-9H2,1-2H3,(H,24,25)(H2,21,22,23);4-6,9-10H,7-8H2,1-3H3,(H3,19,20,22,23).

What are the key properties of 4-[2-(3-cyclopropyl-1H-pyrazol-5-yl)ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(5-methoxy-3H-indol-2-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[2-(1-pyrimidin-2-ylpiperidin-3-yl)ethyl]pyrimidin-2-amine?

4-[2-(3-cyclopropyl-1H-pyrazol-5-yl)ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(5-methoxy-3H-indol-2-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[2-(1-pyrimidin-2-ylpiperidin-3-yl)ethyl]pyrimidin-2-amine has a molecular weight of 2185.85 g/mol, XLogP of 22.79, 33 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(3-cyclopropyl-1H-pyrazol-5-yl)ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(5-methoxy-3H-indol-2-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[2-(1-pyrimidin-2-ylpiperidin-3-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 158229534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).