6-[(3,3-difluoropiperidin-1-yl)methyl]-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(4-fluoropiperidin-1-yl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(4-fluoropiperidin-1-yl)methyl]-2-(1H-pyrrol-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methoxyphenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methoxyphenyl)-6-(thiomorpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methylphenyl)-6-(thiomorpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C108H119F4N25O4S8 — CID 161297991

About 6-[(3,3-difluoropiperidin-1-yl)methyl]-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(4-fluoropiperidin-1-yl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(4-fluoropiperidin-1-yl)methyl]-2-(1H-pyrrol-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methoxyphenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methoxyphenyl)-6-(thiomorpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methylphenyl)-6-(thiomorpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

6-[(3,3-difluoropiperidin-1-yl)methyl]-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(4-fluoropiperidin-1-yl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(4-fluoropiperidin-1-yl)methyl]-2-(1H-pyrrol-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methoxyphenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methoxyphenyl)-6-(thiomorpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methylphenyl)-6-(thiomorpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 161297991) has the molecular formula C108H119F4N25O4S8 and a molecular weight of 2163.84 g/mol. Its IUPAC name is 6-[(3,3-difluoropiperidin-1-yl)methyl]-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(4-fluoropiperidin-1-yl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(4-fluoropiperidin-1-yl)methyl]-2-(1H-pyrrol-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methoxyphenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methoxyphenyl)-6-(thiomorpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methylphenyl)-6-(thiomorpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 6-[(3,3-difluoropiperidin-1-yl)methyl]-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(4-fluoropiperidin-1-yl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(4-fluoropiperidin-1-yl)methyl]-2-(1H-pyrrol-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methoxyphenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methoxyphenyl)-6-(thiomorpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methylphenyl)-6-(thiomorpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
• PubChem CID: 161297991
• Molecular Formula: C108H119F4N25O4S8
• Molecular Weight: 2163.84 g/mol
• Exact Mass: 2161.76
• IUPAC Name: 6-[(3,3-difluoropiperidin-1-yl)methyl]-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(4-fluoropiperidin-1-yl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(4-fluoropiperidin-1-yl)methyl]-2-(1H-pyrrol-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methoxyphenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methoxyphenyl)-6-(thiomorpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methylphenyl)-6-(thiomorpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
• SMILES: COc1cccc(-c2nc(N)c3cc(CN4CCCC(F)(F)C4)sc3n2)c1.COc1cccc(-c2nc(N)c3cc(CN4CCOCC4)sc3n2)c1.COc1cccc(-c2nc(N)c3cc(CN4CCSCC4)sc3n2)c1.Cc1cccc(-c2nc(N)c3cc(CN4CCC(F)CC4)sc3n2)c1.Cc1cccc(-c2nc(N)c3cc(CN4CCSCC4)sc3n2)c1.Nc1nc(-c2ccc[nH]2)nc2sc(CN3CCC(F)CC3)cc12
• InChI: InChI=1S/C19H20F2N4OS.C19H21FN4S.C18H20N4O2S.C18H20N4OS2.C18H20N4S2.C16H18FN5S/c1-26-13-5-2-4-12(8-13)17-23-16(22)15-9-14(27-18(15)24-17)10-25-7-3-6-19(20,21)11-25;1-12-3-2-4-13(9-12)18-22-17(21)16-10-15(25-19(16)23-18)11-24-7-5-14(20)6-8-24;2*1-23-13-4-2-3-12(9-13)17-20-16(19)15-10-14(25-18(15)21-17)11-22-5-7-24-8-6-22;1-12-3-2-4-13(9-12)17-20-16(19)15-10-14(24-18(15)21-17)11-22-5-7-23-8-6-22;17-10-3-6-22(7-4-10)9-11-8-12-14(18)20-15(21-16(12)23-11)13-2-1-5-19-13/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H2,22,23,24);2-4,9-10,14H,5-8,11H2,1H3,(H2,21,22,23);2*2-4,9-10H,5-8,11H2,1H3,(H2,19,20,21);2-4,9-10H,5-8,11H2,1H3,(H2,19,20,21);1-2,5,8,10,19H,3-4,6-7,9H2,(H2,18,20,21)
• InChIKey: VHFQPPRDMBDXHF-UHFFFAOYSA-N
• XLogP: 21.64
• TPSA: 382.95 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 36
• Rotatable Bonds: 21
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2163.84
LogP ≤ 5	21.64
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 6-[(3,3-difluoropiperidin-1-yl)methyl]-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(4-fluoropiperidin-1-yl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(4-fluoropiperidin-1-yl)methyl]-2-(1H-pyrrol-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methoxyphenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methoxyphenyl)-6-(thiomorpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methylphenyl)-6-(thiomorpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?

The IUPAC name of 6-[(3,3-difluoropiperidin-1-yl)methyl]-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(4-fluoropiperidin-1-yl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(4-fluoropiperidin-1-yl)methyl]-2-(1H-pyrrol-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methoxyphenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methoxyphenyl)-6-(thiomorpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methylphenyl)-6-(thiomorpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 161297991) is 6-[(3,3-difluoropiperidin-1-yl)methyl]-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(4-fluoropiperidin-1-yl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(4-fluoropiperidin-1-yl)methyl]-2-(1H-pyrrol-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methoxyphenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methoxyphenyl)-6-(thiomorpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methylphenyl)-6-(thiomorpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 6-[(3,3-difluoropiperidin-1-yl)methyl]-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(4-fluoropiperidin-1-yl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(4-fluoropiperidin-1-yl)methyl]-2-(1H-pyrrol-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methoxyphenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methoxyphenyl)-6-(thiomorpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methylphenyl)-6-(thiomorpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 6-[(3,3-difluoropiperidin-1-yl)methyl]-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(4-fluoropiperidin-1-yl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(4-fluoropiperidin-1-yl)methyl]-2-(1H-pyrrol-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methoxyphenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methoxyphenyl)-6-(thiomorpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methylphenyl)-6-(thiomorpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is COc1cccc(-c2nc(N)c3cc(CN4CCCC(F)(F)C4)sc3n2)c1.COc1cccc(-c2nc(N)c3cc(CN4CCOCC4)sc3n2)c1.COc1cccc(-c2nc(N)c3cc(CN4CCSCC4)sc3n2)c1.Cc1cccc(-c2nc(N)c3cc(CN4CCC(F)CC4)sc3n2)c1.Cc1cccc(-c2nc(N)c3cc(CN4CCSCC4)sc3n2)c1.Nc1nc(-c2ccc[nH]2)nc2sc(CN3CCC(F)CC3)cc12.

What is the InChIKey of 6-[(3,3-difluoropiperidin-1-yl)methyl]-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(4-fluoropiperidin-1-yl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(4-fluoropiperidin-1-yl)methyl]-2-(1H-pyrrol-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methoxyphenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methoxyphenyl)-6-(thiomorpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methylphenyl)-6-(thiomorpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?

The InChIKey is VHFQPPRDMBDXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4OS.C19H21FN4S.C18H20N4O2S.C18H20N4OS2.C18H20N4S2.C16H18FN5S/c1-26-13-5-2-4-12(8-13)17-23-16(22)15-9-14(27-18(15)24-17)10-25-7-3-6-19(20,21)11-25;1-12-3-2-4-13(9-12)18-22-17(21)16-10-15(25-19(16)23-18)11-24-7-5-14(20)6-8-24;2*1-23-13-4-2-3-12(9-13)17-20-16(19)15-10-14(25-18(15)21-17)11-22-5-7-24-8-6-22;1-12-3-2-4-13(9-12)17-20-16(19)15-10-14(24-18(15)21-17)11-22-5-7-23-8-6-22;17-10-3-6-22(7-4-10)9-11-8-12-14(18)20-15(21-16(12)23-11)13-2-1-5-19-13/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H2,22,23,24);2-4,9-10,14H,5-8,11H2,1H3,(H2,21,22,23);2*2-4,9-10H,5-8,11H2,1H3,(H2,19,20,21);2-4,9-10H,5-8,11H2,1H3,(H2,19,20,21);1-2,5,8,10,19H,3-4,6-7,9H2,(H2,18,20,21).

What are the key properties of 6-[(3,3-difluoropiperidin-1-yl)methyl]-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(4-fluoropiperidin-1-yl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(4-fluoropiperidin-1-yl)methyl]-2-(1H-pyrrol-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methoxyphenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methoxyphenyl)-6-(thiomorpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methylphenyl)-6-(thiomorpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?

6-[(3,3-difluoropiperidin-1-yl)methyl]-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(4-fluoropiperidin-1-yl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(4-fluoropiperidin-1-yl)methyl]-2-(1H-pyrrol-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methoxyphenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methoxyphenyl)-6-(thiomorpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methylphenyl)-6-(thiomorpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 2163.84 g/mol, XLogP of 21.64, 21 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3,3-difluoropiperidin-1-yl)methyl]-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(4-fluoropiperidin-1-yl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(4-fluoropiperidin-1-yl)methyl]-2-(1H-pyrrol-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methoxyphenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methoxyphenyl)-6-(thiomorpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(3-methylphenyl)-6-(thiomorpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 161297991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).