4-(5-hept-6-yn-3-ylsulfonylthiophen-2-yl)-N-(3-propan-2-ylphenyl)pyrimidin-2-amine;2-[4-[[4-(5-hept-6-yn-3-ylsulfonylthiophen-2-yl)pyrimidin-2-yl]amino]phenyl]ethanol;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N,N-dimethylthiophene-2-sulfonamide;N-(2-methylpyrazol-3-yl)-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-amine

C82H92N16O10S8 — CID 161461270

About 4-(5-hept-6-yn-3-ylsulfonylthiophen-2-yl)-N-(3-propan-2-ylphenyl)pyrimidin-2-amine;2-[4-[[4-(5-hept-6-yn-3-ylsulfonylthiophen-2-yl)pyrimidin-2-yl]amino]phenyl]ethanol;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N,N-dimethylthiophene-2-sulfonamide;N-(2-methylpyrazol-3-yl)-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-amine

4-(5-hept-6-yn-3-ylsulfonylthiophen-2-yl)-N-(3-propan-2-ylphenyl)pyrimidin-2-amine;2-[4-[[4-(5-hept-6-yn-3-ylsulfonylthiophen-2-yl)pyrimidin-2-yl]amino]phenyl]ethanol;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N,N-dimethylthiophene-2-sulfonamide;N-(2-methylpyrazol-3-yl)-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-amine (PubChem CID 161461270) has the molecular formula C82H92N16O10S8 and a molecular weight of 1718.28 g/mol. Its IUPAC name is 4-(5-hept-6-yn-3-ylsulfonylthiophen-2-yl)-N-(3-propan-2-ylphenyl)pyrimidin-2-amine;2-[4-[[4-(5-hept-6-yn-3-ylsulfonylthiophen-2-yl)pyrimidin-2-yl]amino]phenyl]ethanol;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N,N-dimethylthiophene-2-sulfonamide;N-(2-methylpyrazol-3-yl)-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-(5-hept-6-yn-3-ylsulfonylthiophen-2-yl)-N-(3-propan-2-ylphenyl)pyrimidin-2-amine;2-[4-[[4-(5-hept-6-yn-3-ylsulfonylthiophen-2-yl)pyrimidin-2-yl]amino]phenyl]ethanol;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N,N-dimethylthiophene-2-sulfonamide;N-(2-methylpyrazol-3-yl)-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-amine
• PubChem CID: 161461270
• Molecular Formula: C82H92N16O10S8
• Molecular Weight: 1718.28 g/mol
• Exact Mass: 1716.49
• IUPAC Name: 4-(5-hept-6-yn-3-ylsulfonylthiophen-2-yl)-N-(3-propan-2-ylphenyl)pyrimidin-2-amine;2-[4-[[4-(5-hept-6-yn-3-ylsulfonylthiophen-2-yl)pyrimidin-2-yl]amino]phenyl]ethanol;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N,N-dimethylthiophene-2-sulfonamide;N-(2-methylpyrazol-3-yl)-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-amine
• SMILES: C#CCCC(CC)S(=O)(=O)c1ccc(-c2ccnc(Nc3ccc(CCO)cc3)n2)s1.C#CCCC(CC)S(=O)(=O)c1ccc(-c2ccnc(Nc3cccc(C(C)C)c3)n2)s1.CC(O)c1cccc(Nc2nccc(-c3ccc(S(=O)(=O)N(C)C)s3)n2)c1.Cn1nccc1Nc1nccc(-c2ccc(S(=O)(=O)N3CCCCC3)s2)n1
• InChI: InChI=1S/C24H27N3O2S2.C23H25N3O3S2.C18H20N4O3S2.C17H20N6O2S2/c1-5-7-11-20(6-2)31(28,29)23-13-12-22(30-23)21-14-15-25-24(27-21)26-19-10-8-9-18(16-19)17(3)4;1-3-5-6-19(4-2)31(28,29)22-12-11-21(30-22)20-13-15-24-23(26-20)25-18-9-7-17(8-10-18)14-16-27;1-12(23)13-5-4-6-14(11-13)20-18-19-10-9-15(21-18)16-7-8-17(26-16)27(24,25)22(2)3;1-22-15(8-10-19-22)21-17-18-9-7-13(20-17)14-5-6-16(26-14)27(24,25)23-11-3-2-4-12-23/h1,8-10,12-17,20H,6-7,11H2,2-4H3,(H,25,26,27);1,7-13,15,19,27H,4-6,14,16H2,2H3,(H,24,25,26);4-12,23H,1-3H3,(H,19,20,21);5-10H,2-4,11-12H2,1H3,(H,18,20,21)
• InChIKey: WBVOYRDONRTWML-UHFFFAOYSA-N
• XLogP: 16.60
• TPSA: 352.56 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 30
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1718.28
LogP ≤ 5	16.60
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(5-hept-6-yn-3-ylsulfonylthiophen-2-yl)-N-(3-propan-2-ylphenyl)pyrimidin-2-amine;2-[4-[[4-(5-hept-6-yn-3-ylsulfonylthiophen-2-yl)pyrimidin-2-yl]amino]phenyl]ethanol;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N,N-dimethylthiophene-2-sulfonamide;N-(2-methylpyrazol-3-yl)-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-amine?

The IUPAC name of 4-(5-hept-6-yn-3-ylsulfonylthiophen-2-yl)-N-(3-propan-2-ylphenyl)pyrimidin-2-amine;2-[4-[[4-(5-hept-6-yn-3-ylsulfonylthiophen-2-yl)pyrimidin-2-yl]amino]phenyl]ethanol;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N,N-dimethylthiophene-2-sulfonamide;N-(2-methylpyrazol-3-yl)-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-amine (CID 161461270) is 4-(5-hept-6-yn-3-ylsulfonylthiophen-2-yl)-N-(3-propan-2-ylphenyl)pyrimidin-2-amine;2-[4-[[4-(5-hept-6-yn-3-ylsulfonylthiophen-2-yl)pyrimidin-2-yl]amino]phenyl]ethanol;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N,N-dimethylthiophene-2-sulfonamide;N-(2-methylpyrazol-3-yl)-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-amine.

What is the SMILES notation for 4-(5-hept-6-yn-3-ylsulfonylthiophen-2-yl)-N-(3-propan-2-ylphenyl)pyrimidin-2-amine;2-[4-[[4-(5-hept-6-yn-3-ylsulfonylthiophen-2-yl)pyrimidin-2-yl]amino]phenyl]ethanol;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N,N-dimethylthiophene-2-sulfonamide;N-(2-methylpyrazol-3-yl)-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-amine?

The canonical SMILES for 4-(5-hept-6-yn-3-ylsulfonylthiophen-2-yl)-N-(3-propan-2-ylphenyl)pyrimidin-2-amine;2-[4-[[4-(5-hept-6-yn-3-ylsulfonylthiophen-2-yl)pyrimidin-2-yl]amino]phenyl]ethanol;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N,N-dimethylthiophene-2-sulfonamide;N-(2-methylpyrazol-3-yl)-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-amine is C#CCCC(CC)S(=O)(=O)c1ccc(-c2ccnc(Nc3ccc(CCO)cc3)n2)s1.C#CCCC(CC)S(=O)(=O)c1ccc(-c2ccnc(Nc3cccc(C(C)C)c3)n2)s1.CC(O)c1cccc(Nc2nccc(-c3ccc(S(=O)(=O)N(C)C)s3)n2)c1.Cn1nccc1Nc1nccc(-c2ccc(S(=O)(=O)N3CCCCC3)s2)n1.

What is the InChIKey of 4-(5-hept-6-yn-3-ylsulfonylthiophen-2-yl)-N-(3-propan-2-ylphenyl)pyrimidin-2-amine;2-[4-[[4-(5-hept-6-yn-3-ylsulfonylthiophen-2-yl)pyrimidin-2-yl]amino]phenyl]ethanol;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N,N-dimethylthiophene-2-sulfonamide;N-(2-methylpyrazol-3-yl)-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-amine?

The InChIKey is WBVOYRDONRTWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S2.C23H25N3O3S2.C18H20N4O3S2.C17H20N6O2S2/c1-5-7-11-20(6-2)31(28,29)23-13-12-22(30-23)21-14-15-25-24(27-21)26-19-10-8-9-18(16-19)17(3)4;1-3-5-6-19(4-2)31(28,29)22-12-11-21(30-22)20-13-15-24-23(26-20)25-18-9-7-17(8-10-18)14-16-27;1-12(23)13-5-4-6-14(11-13)20-18-19-10-9-15(21-18)16-7-8-17(26-16)27(24,25)22(2)3;1-22-15(8-10-19-22)21-17-18-9-7-13(20-17)14-5-6-16(26-14)27(24,25)23-11-3-2-4-12-23/h1,8-10,12-17,20H,6-7,11H2,2-4H3,(H,25,26,27);1,7-13,15,19,27H,4-6,14,16H2,2H3,(H,24,25,26);4-12,23H,1-3H3,(H,19,20,21);5-10H,2-4,11-12H2,1H3,(H,18,20,21).

What are the key properties of 4-(5-hept-6-yn-3-ylsulfonylthiophen-2-yl)-N-(3-propan-2-ylphenyl)pyrimidin-2-amine;2-[4-[[4-(5-hept-6-yn-3-ylsulfonylthiophen-2-yl)pyrimidin-2-yl]amino]phenyl]ethanol;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N,N-dimethylthiophene-2-sulfonamide;N-(2-methylpyrazol-3-yl)-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-amine?

4-(5-hept-6-yn-3-ylsulfonylthiophen-2-yl)-N-(3-propan-2-ylphenyl)pyrimidin-2-amine;2-[4-[[4-(5-hept-6-yn-3-ylsulfonylthiophen-2-yl)pyrimidin-2-yl]amino]phenyl]ethanol;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N,N-dimethylthiophene-2-sulfonamide;N-(2-methylpyrazol-3-yl)-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-amine has a molecular weight of 1718.28 g/mol, XLogP of 16.60, 30 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-hept-6-yn-3-ylsulfonylthiophen-2-yl)-N-(3-propan-2-ylphenyl)pyrimidin-2-amine;2-[4-[[4-(5-hept-6-yn-3-ylsulfonylthiophen-2-yl)pyrimidin-2-yl]amino]phenyl]ethanol;5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N,N-dimethylthiophene-2-sulfonamide;N-(2-methylpyrazol-3-yl)-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 161461270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).