[4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(3-methoxy-2-pyridinyl)methanol;[4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(6-methoxy-3-pyridinyl)methanol;6-[(2-chloro-3-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3-fluoro-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3-methoxy-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(6-methoxy-3-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine

C118H102ClFN24O6S6 — CID 157448194

About [4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(3-methoxy-2-pyridinyl)methanol;[4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(6-methoxy-3-pyridinyl)methanol;6-[(2-chloro-3-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3-fluoro-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3-methoxy-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(6-methoxy-3-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine

[4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(3-methoxy-2-pyridinyl)methanol;[4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(6-methoxy-3-pyridinyl)methanol;6-[(2-chloro-3-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3-fluoro-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3-methoxy-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(6-methoxy-3-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 157448194) has the molecular formula C118H102ClFN24O6S6 and a molecular weight of 2199.13 g/mol. Its IUPAC name is [4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(3-methoxy-2-pyridinyl)methanol;[4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(6-methoxy-3-pyridinyl)methanol;6-[(2-chloro-3-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3-fluoro-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3-methoxy-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(6-methoxy-3-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: [4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(3-methoxy-2-pyridinyl)methanol;[4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(6-methoxy-3-pyridinyl)methanol;6-[(2-chloro-3-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3-fluoro-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3-methoxy-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(6-methoxy-3-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
• PubChem CID: 157448194
• Molecular Formula: C118H102ClFN24O6S6
• Molecular Weight: 2199.13 g/mol
• Exact Mass: 2196.64
• IUPAC Name: [4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(3-methoxy-2-pyridinyl)methanol;[4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(6-methoxy-3-pyridinyl)methanol;6-[(2-chloro-3-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3-fluoro-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3-methoxy-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(6-methoxy-3-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
• SMILES: COc1ccc(C(O)c2cc3c(N)nc(-c4cccc(C)c4)nc3s2)cn1.COc1ccc(Cc2cc3c(N)nc(-c4cccc(C)c4)nc3s2)cn1.COc1cccnc1C(O)c1cc2c(N)nc(-c3cccc(C)c3)nc2s1.COc1cccnc1Cc1cc2c(N)nc(-c3cccc(C)c3)nc2s1.Cc1cccc(-c2nc(N)c3cc(Cc4cccnc4Cl)sc3n2)c1.Cc1cccc(-c2nc(N)c3cc(Cc4ncccc4F)sc3n2)c1
• InChI: InChI=1S/2C20H18N4O2S.2C20H18N4OS.C19H15ClN4S.C19H15FN4S/c1-11-5-3-6-12(9-11)19-23-18(21)13-10-15(27-20(13)24-19)17(25)16-14(26-2)7-4-8-22-16;1-11-4-3-5-12(8-11)19-23-18(21)14-9-15(27-20(14)24-19)17(25)13-6-7-16(26-2)22-10-13;1-12-5-3-6-13(9-12)19-23-18(21)15-10-14(26-20(15)24-19)11-16-17(25-2)7-4-8-22-16;1-12-4-3-5-14(8-12)19-23-18(21)16-10-15(26-20(16)24-19)9-13-6-7-17(25-2)22-11-13;1-11-4-2-5-13(8-11)18-23-17(21)15-10-14(25-19(15)24-18)9-12-6-3-7-22-16(12)20;1-11-4-2-5-12(8-11)18-23-17(21)14-9-13(25-19(14)24-18)10-16-15(20)6-3-7-22-16/h2*3-10,17,25H,1-2H3,(H2,21,23,24);3-10H,11H2,1-2H3,(H2,21,23,24);3-8,10-11H,9H2,1-2H3,(H2,21,23,24);2-8,10H,9H2,1H3,(H2,21,23,24);2-9H,10H2,1H3,(H2,21,23,24)
• InChIKey: BSMBPKAAVVVMQN-UHFFFAOYSA-N
• XLogP: 25.22
• TPSA: 465.52 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 36
• Rotatable Bonds: 22
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2199.13
LogP ≤ 5	25.22
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(3-methoxy-2-pyridinyl)methanol;[4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(6-methoxy-3-pyridinyl)methanol;6-[(2-chloro-3-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3-fluoro-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3-methoxy-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(6-methoxy-3-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?

The IUPAC name of [4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(3-methoxy-2-pyridinyl)methanol;[4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(6-methoxy-3-pyridinyl)methanol;6-[(2-chloro-3-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3-fluoro-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3-methoxy-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(6-methoxy-3-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 157448194) is [4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(3-methoxy-2-pyridinyl)methanol;[4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(6-methoxy-3-pyridinyl)methanol;6-[(2-chloro-3-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3-fluoro-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3-methoxy-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(6-methoxy-3-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for [4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(3-methoxy-2-pyridinyl)methanol;[4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(6-methoxy-3-pyridinyl)methanol;6-[(2-chloro-3-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3-fluoro-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3-methoxy-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(6-methoxy-3-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?

The canonical SMILES for [4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(3-methoxy-2-pyridinyl)methanol;[4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(6-methoxy-3-pyridinyl)methanol;6-[(2-chloro-3-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3-fluoro-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3-methoxy-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(6-methoxy-3-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine is COc1ccc(C(O)c2cc3c(N)nc(-c4cccc(C)c4)nc3s2)cn1.COc1ccc(Cc2cc3c(N)nc(-c4cccc(C)c4)nc3s2)cn1.COc1cccnc1C(O)c1cc2c(N)nc(-c3cccc(C)c3)nc2s1.COc1cccnc1Cc1cc2c(N)nc(-c3cccc(C)c3)nc2s1.Cc1cccc(-c2nc(N)c3cc(Cc4cccnc4Cl)sc3n2)c1.Cc1cccc(-c2nc(N)c3cc(Cc4ncccc4F)sc3n2)c1.

What is the InChIKey of [4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(3-methoxy-2-pyridinyl)methanol;[4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(6-methoxy-3-pyridinyl)methanol;6-[(2-chloro-3-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3-fluoro-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3-methoxy-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(6-methoxy-3-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?

The InChIKey is BSMBPKAAVVVMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H18N4O2S.2C20H18N4OS.C19H15ClN4S.C19H15FN4S/c1-11-5-3-6-12(9-11)19-23-18(21)13-10-15(27-20(13)24-19)17(25)16-14(26-2)7-4-8-22-16;1-11-4-3-5-12(8-11)19-23-18(21)14-9-15(27-20(14)24-19)17(25)13-6-7-16(26-2)22-10-13;1-12-5-3-6-13(9-12)19-23-18(21)15-10-14(26-20(15)24-19)11-16-17(25-2)7-4-8-22-16;1-12-4-3-5-14(8-12)19-23-18(21)16-10-15(26-20(16)24-19)9-13-6-7-17(25-2)22-11-13;1-11-4-2-5-13(8-11)18-23-17(21)15-10-14(25-19(15)24-18)9-12-6-3-7-22-16(12)20;1-11-4-2-5-12(8-11)18-23-17(21)14-9-13(25-19(14)24-18)10-16-15(20)6-3-7-22-16/h2*3-10,17,25H,1-2H3,(H2,21,23,24);3-10H,11H2,1-2H3,(H2,21,23,24);3-8,10-11H,9H2,1-2H3,(H2,21,23,24);2-8,10H,9H2,1H3,(H2,21,23,24);2-9H,10H2,1H3,(H2,21,23,24).

What are the key properties of [4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(3-methoxy-2-pyridinyl)methanol;[4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(6-methoxy-3-pyridinyl)methanol;6-[(2-chloro-3-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3-fluoro-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3-methoxy-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(6-methoxy-3-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?

[4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(3-methoxy-2-pyridinyl)methanol;[4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(6-methoxy-3-pyridinyl)methanol;6-[(2-chloro-3-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3-fluoro-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3-methoxy-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(6-methoxy-3-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 2199.13 g/mol, XLogP of 25.22, 22 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for [4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(3-methoxy-2-pyridinyl)methanol;[4-amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(6-methoxy-3-pyridinyl)methanol;6-[(2-chloro-3-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3-fluoro-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(3-methoxy-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-[(6-methoxy-3-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 157448194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).