6-(azepan-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3,3-difluoropiperidin-1-yl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-(2,5-dihydropyrrol-1-ylmethyl)-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(4-fluoropiperidin-1-yl)methyl]-2-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methylphenyl)-6-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C132H143F3N28S7 — CID 159266856

About 6-(azepan-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3,3-difluoropiperidin-1-yl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-(2,5-dihydropyrrol-1-ylmethyl)-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(4-fluoropiperidin-1-yl)methyl]-2-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methylphenyl)-6-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

6-(azepan-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3,3-difluoropiperidin-1-yl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-(2,5-dihydropyrrol-1-ylmethyl)-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(4-fluoropiperidin-1-yl)methyl]-2-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methylphenyl)-6-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 159266856) has the molecular formula C132H143F3N28S7 and a molecular weight of 2403.25 g/mol. Its IUPAC name is 6-(azepan-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3,3-difluoropiperidin-1-yl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-(2,5-dihydropyrrol-1-ylmethyl)-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(4-fluoropiperidin-1-yl)methyl]-2-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methylphenyl)-6-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 6-(azepan-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3,3-difluoropiperidin-1-yl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-(2,5-dihydropyrrol-1-ylmethyl)-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(4-fluoropiperidin-1-yl)methyl]-2-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methylphenyl)-6-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
• PubChem CID: 159266856
• Molecular Formula: C132H143F3N28S7
• Molecular Weight: 2403.25 g/mol
• Exact Mass: 2401.00
• IUPAC Name: 6-(azepan-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3,3-difluoropiperidin-1-yl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-(2,5-dihydropyrrol-1-ylmethyl)-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(4-fluoropiperidin-1-yl)methyl]-2-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methylphenyl)-6-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
• SMILES: Cc1ccc(-c2nc(N)c3cc(CN4CC=CCC4)sc3n2)cc1.Cc1ccc(-c2nc(N)c3cc(CN4CCC(F)CC4)sc3n2)cc1.Cc1ccc(-c2nc(N)c3cc(CN4CCCCCC4)sc3n2)cc1.Cc1cccc(-c2nc(N)c3cc(CN4CC=CC4)sc3n2)c1.Cc1cccc(-c2nc(N)c3cc(CN4CC=CCC4)sc3n2)c1.Cc1cccc(-c2nc(N)c3cc(CN4CCCC(F)(F)C4)sc3n2)c1.Cc1cccc(-c2nc(N)c3cc(CN4CCCC4)sc3n2)c1
• InChI: InChI=1S/C20H24N4S.C19H20F2N4S.C19H21FN4S.2C19H20N4S.C18H20N4S.C18H18N4S/c1-14-6-8-15(9-7-14)19-22-18(21)17-12-16(25-20(17)23-19)13-24-10-4-2-3-5-11-24;1-12-4-2-5-13(8-12)17-23-16(22)15-9-14(26-18(15)24-17)10-25-7-3-6-19(20,21)11-25;1-12-2-4-13(5-3-12)18-22-17(21)16-10-15(25-19(16)23-18)11-24-8-6-14(20)7-9-24;1-13-5-7-14(8-6-13)18-21-17(20)16-11-15(24-19(16)22-18)12-23-9-3-2-4-10-23;1-13-6-5-7-14(10-13)18-21-17(20)16-11-15(24-19(16)22-18)12-23-8-3-2-4-9-23;2*1-12-5-4-6-13(9-12)17-20-16(19)15-10-14(23-18(15)21-17)11-22-7-2-3-8-22/h6-9,12H,2-5,10-11,13H2,1H3,(H2,21,22,23);2,4-5,8-9H,3,6-7,10-11H2,1H3,(H2,22,23,24);2-5,10,14H,6-9,11H2,1H3,(H2,21,22,23);2-3,5-8,11H,4,9-10,12H2,1H3,(H2,20,21,22);2-3,5-7,10-11H,4,8-9,12H2,1H3,(H2,20,21,22);4-6,9-10H,2-3,7-8,11H2,1H3,(H2,19,20,21);2-6,9-10H,7-8,11H2,1H3,(H2,19,20,21)
• InChIKey: KXFHSDBCCYYVNH-UHFFFAOYSA-N
• XLogP: 28.77
• TPSA: 385.28 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 21
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2403.25
LogP ≤ 5	28.77
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3,3-difluoropiperidin-1-yl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-(2,5-dihydropyrrol-1-ylmethyl)-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(4-fluoropiperidin-1-yl)methyl]-2-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methylphenyl)-6-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?

The IUPAC name of 6-(azepan-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3,3-difluoropiperidin-1-yl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-(2,5-dihydropyrrol-1-ylmethyl)-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(4-fluoropiperidin-1-yl)methyl]-2-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methylphenyl)-6-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 159266856) is 6-(azepan-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3,3-difluoropiperidin-1-yl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-(2,5-dihydropyrrol-1-ylmethyl)-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(4-fluoropiperidin-1-yl)methyl]-2-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methylphenyl)-6-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 6-(azepan-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3,3-difluoropiperidin-1-yl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-(2,5-dihydropyrrol-1-ylmethyl)-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(4-fluoropiperidin-1-yl)methyl]-2-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methylphenyl)-6-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 6-(azepan-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3,3-difluoropiperidin-1-yl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-(2,5-dihydropyrrol-1-ylmethyl)-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(4-fluoropiperidin-1-yl)methyl]-2-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methylphenyl)-6-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1ccc(-c2nc(N)c3cc(CN4CC=CCC4)sc3n2)cc1.Cc1ccc(-c2nc(N)c3cc(CN4CCC(F)CC4)sc3n2)cc1.Cc1ccc(-c2nc(N)c3cc(CN4CCCCCC4)sc3n2)cc1.Cc1cccc(-c2nc(N)c3cc(CN4CC=CC4)sc3n2)c1.Cc1cccc(-c2nc(N)c3cc(CN4CC=CCC4)sc3n2)c1.Cc1cccc(-c2nc(N)c3cc(CN4CCCC(F)(F)C4)sc3n2)c1.Cc1cccc(-c2nc(N)c3cc(CN4CCCC4)sc3n2)c1.

What is the InChIKey of 6-(azepan-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3,3-difluoropiperidin-1-yl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-(2,5-dihydropyrrol-1-ylmethyl)-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(4-fluoropiperidin-1-yl)methyl]-2-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methylphenyl)-6-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?

The InChIKey is KXFHSDBCCYYVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4S.C19H20F2N4S.C19H21FN4S.2C19H20N4S.C18H20N4S.C18H18N4S/c1-14-6-8-15(9-7-14)19-22-18(21)17-12-16(25-20(17)23-19)13-24-10-4-2-3-5-11-24;1-12-4-2-5-13(8-12)17-23-16(22)15-9-14(26-18(15)24-17)10-25-7-3-6-19(20,21)11-25;1-12-2-4-13(5-3-12)18-22-17(21)16-10-15(25-19(16)23-18)11-24-8-6-14(20)7-9-24;1-13-5-7-14(8-6-13)18-21-17(20)16-11-15(24-19(16)22-18)12-23-9-3-2-4-10-23;1-13-6-5-7-14(10-13)18-21-17(20)16-11-15(24-19(16)22-18)12-23-8-3-2-4-9-23;2*1-12-5-4-6-13(9-12)17-20-16(19)15-10-14(23-18(15)21-17)11-22-7-2-3-8-22/h6-9,12H,2-5,10-11,13H2,1H3,(H2,21,22,23);2,4-5,8-9H,3,6-7,10-11H2,1H3,(H2,22,23,24);2-5,10,14H,6-9,11H2,1H3,(H2,21,22,23);2-3,5-8,11H,4,9-10,12H2,1H3,(H2,20,21,22);2-3,5-7,10-11H,4,8-9,12H2,1H3,(H2,20,21,22);4-6,9-10H,2-3,7-8,11H2,1H3,(H2,19,20,21);2-6,9-10H,7-8,11H2,1H3,(H2,19,20,21).

What are the key properties of 6-(azepan-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3,3-difluoropiperidin-1-yl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-(2,5-dihydropyrrol-1-ylmethyl)-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(4-fluoropiperidin-1-yl)methyl]-2-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methylphenyl)-6-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?

6-(azepan-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3,3-difluoropiperidin-1-yl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-(2,5-dihydropyrrol-1-ylmethyl)-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(4-fluoropiperidin-1-yl)methyl]-2-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methylphenyl)-6-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 2403.25 g/mol, XLogP of 28.77, 21 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(azepan-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3,3-difluoropiperidin-1-yl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-(2,5-dihydropyrrol-1-ylmethyl)-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(4-fluoropiperidin-1-yl)methyl]-2-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methylphenyl)-6-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 159266856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).