N-tert-butyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyrimidin-2-amine;2-methyl-4-[2-[2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[2-(2-methylpyrrolidin-1-yl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(2-piperidin-1-ylpyrimidin-5-yl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(2-propan-2-yloxypyrimidin-5-yl)ethynyl]-1,3-thiazole

C89H96N22OS6 — CID 160787674

About N-tert-butyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyrimidin-2-amine;2-methyl-4-[2-[2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[2-(2-methylpyrrolidin-1-yl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(2-piperidin-1-ylpyrimidin-5-yl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(2-propan-2-yloxypyrimidin-5-yl)ethynyl]-1,3-thiazole

N-tert-butyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyrimidin-2-amine;2-methyl-4-[2-[2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[2-(2-methylpyrrolidin-1-yl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(2-piperidin-1-ylpyrimidin-5-yl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(2-propan-2-yloxypyrimidin-5-yl)ethynyl]-1,3-thiazole (PubChem CID 160787674) has the molecular formula C89H96N22OS6 and a molecular weight of 1682.30 g/mol. Its IUPAC name is N-tert-butyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyrimidin-2-amine;2-methyl-4-[2-[2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[2-(2-methylpyrrolidin-1-yl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(2-piperidin-1-ylpyrimidin-5-yl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(2-propan-2-yloxypyrimidin-5-yl)ethynyl]-1,3-thiazole.

Molecular Properties

• Compound Name: N-tert-butyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyrimidin-2-amine;2-methyl-4-[2-[2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[2-(2-methylpyrrolidin-1-yl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(2-piperidin-1-ylpyrimidin-5-yl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(2-propan-2-yloxypyrimidin-5-yl)ethynyl]-1,3-thiazole
• PubChem CID: 160787674
• Molecular Formula: C89H96N22OS6
• Molecular Weight: 1682.30 g/mol
• Exact Mass: 1680.65
• IUPAC Name: N-tert-butyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyrimidin-2-amine;2-methyl-4-[2-[2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[2-(2-methylpyrrolidin-1-yl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(2-piperidin-1-ylpyrimidin-5-yl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(2-propan-2-yloxypyrimidin-5-yl)ethynyl]-1,3-thiazole
• SMILES: Cc1nc(C#Cc2ccc(N3CCCC3C)nc2)cs1.Cc1nc(C#Cc2cnc(N3CCCC(C)C3)nc2)cs1.Cc1nc(C#Cc2cnc(N3CCCC3C)nc2)cs1.Cc1nc(C#Cc2cnc(N3CCCCC3)nc2)cs1.Cc1nc(C#Cc2cnc(NC(C)(C)C)nc2)cs1.Cc1nc(C#Cc2cnc(OC(C)C)nc2)cs1
• InChI: InChI=1S/C16H18N4S.C16H17N3S.2C15H16N4S.C14H16N4S.C13H13N3OS/c1-12-4-3-7-20(10-12)16-17-8-14(9-18-16)5-6-15-11-21-13(2)19-15;1-12-4-3-9-19(12)16-8-6-14(10-17-16)5-7-15-11-20-13(2)18-15;1-11-4-3-7-19(11)15-16-8-13(9-17-15)5-6-14-10-20-12(2)18-14;1-12-18-14(11-20-12)6-5-13-9-16-15(17-10-13)19-7-3-2-4-8-19;1-10-17-12(9-19-10)6-5-11-7-15-13(16-8-11)18-14(2,3)4;1-9(2)17-13-14-6-11(7-15-13)4-5-12-8-18-10(3)16-12/h8-9,11-12H,3-4,7,10H2,1-2H3;6,8,10-12H,3-4,9H2,1-2H3;8-11H,3-4,7H2,1-2H3;9-11H,2-4,7-8H2,1H3;7-9H,1-4H3,(H,15,16,18);6-9H,1-3H3
• InChIKey: SBKPOPNCMHQCPG-UHFFFAOYSA-N
• XLogP: 16.65
• TPSA: 253.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 29
• Rotatable Bonds: 7
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1682.30
LogP ≤ 5	16.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyrimidin-2-amine;2-methyl-4-[2-[2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[2-(2-methylpyrrolidin-1-yl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(2-piperidin-1-ylpyrimidin-5-yl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(2-propan-2-yloxypyrimidin-5-yl)ethynyl]-1,3-thiazole?

The IUPAC name of N-tert-butyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyrimidin-2-amine;2-methyl-4-[2-[2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[2-(2-methylpyrrolidin-1-yl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(2-piperidin-1-ylpyrimidin-5-yl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(2-propan-2-yloxypyrimidin-5-yl)ethynyl]-1,3-thiazole (CID 160787674) is N-tert-butyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyrimidin-2-amine;2-methyl-4-[2-[2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[2-(2-methylpyrrolidin-1-yl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(2-piperidin-1-ylpyrimidin-5-yl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(2-propan-2-yloxypyrimidin-5-yl)ethynyl]-1,3-thiazole.

What is the SMILES notation for N-tert-butyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyrimidin-2-amine;2-methyl-4-[2-[2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[2-(2-methylpyrrolidin-1-yl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(2-piperidin-1-ylpyrimidin-5-yl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(2-propan-2-yloxypyrimidin-5-yl)ethynyl]-1,3-thiazole?

The canonical SMILES for N-tert-butyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyrimidin-2-amine;2-methyl-4-[2-[2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[2-(2-methylpyrrolidin-1-yl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(2-piperidin-1-ylpyrimidin-5-yl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(2-propan-2-yloxypyrimidin-5-yl)ethynyl]-1,3-thiazole is Cc1nc(C#Cc2ccc(N3CCCC3C)nc2)cs1.Cc1nc(C#Cc2cnc(N3CCCC(C)C3)nc2)cs1.Cc1nc(C#Cc2cnc(N3CCCC3C)nc2)cs1.Cc1nc(C#Cc2cnc(N3CCCCC3)nc2)cs1.Cc1nc(C#Cc2cnc(NC(C)(C)C)nc2)cs1.Cc1nc(C#Cc2cnc(OC(C)C)nc2)cs1.

What is the InChIKey of N-tert-butyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyrimidin-2-amine;2-methyl-4-[2-[2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[2-(2-methylpyrrolidin-1-yl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(2-piperidin-1-ylpyrimidin-5-yl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(2-propan-2-yloxypyrimidin-5-yl)ethynyl]-1,3-thiazole?

The InChIKey is SBKPOPNCMHQCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S.C16H17N3S.2C15H16N4S.C14H16N4S.C13H13N3OS/c1-12-4-3-7-20(10-12)16-17-8-14(9-18-16)5-6-15-11-21-13(2)19-15;1-12-4-3-9-19(12)16-8-6-14(10-17-16)5-7-15-11-20-13(2)18-15;1-11-4-3-7-19(11)15-16-8-13(9-17-15)5-6-14-10-20-12(2)18-14;1-12-18-14(11-20-12)6-5-13-9-16-15(17-10-13)19-7-3-2-4-8-19;1-10-17-12(9-19-10)6-5-11-7-15-13(16-8-11)18-14(2,3)4;1-9(2)17-13-14-6-11(7-15-13)4-5-12-8-18-10(3)16-12/h8-9,11-12H,3-4,7,10H2,1-2H3;6,8,10-12H,3-4,9H2,1-2H3;8-11H,3-4,7H2,1-2H3;9-11H,2-4,7-8H2,1H3;7-9H,1-4H3,(H,15,16,18);6-9H,1-3H3.

What are the key properties of N-tert-butyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyrimidin-2-amine;2-methyl-4-[2-[2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[2-(2-methylpyrrolidin-1-yl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(2-piperidin-1-ylpyrimidin-5-yl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(2-propan-2-yloxypyrimidin-5-yl)ethynyl]-1,3-thiazole?

N-tert-butyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyrimidin-2-amine;2-methyl-4-[2-[2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[2-(2-methylpyrrolidin-1-yl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(2-piperidin-1-ylpyrimidin-5-yl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(2-propan-2-yloxypyrimidin-5-yl)ethynyl]-1,3-thiazole has a molecular weight of 1682.30 g/mol, XLogP of 16.65, 7 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyrimidin-2-amine;2-methyl-4-[2-[2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-methyl-4-[2-[2-(2-methylpyrrolidin-1-yl)pyrimidin-5-yl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(2-piperidin-1-ylpyrimidin-5-yl)ethynyl]-1,3-thiazole;2-methyl-4-[2-(2-propan-2-yloxypyrimidin-5-yl)ethynyl]-1,3-thiazole is sourced from PubChem (CID 160787674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).