6-[(6-chloro-3-pyridinyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(5-methylfuran-2-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(2-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-pyrazin-2-yl-6-(2-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine

C97H78ClN31O5S6 — CID 157496568

About 6-[(6-chloro-3-pyridinyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(5-methylfuran-2-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(2-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-pyrazin-2-yl-6-(2-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine

6-[(6-chloro-3-pyridinyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(5-methylfuran-2-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(2-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-pyrazin-2-yl-6-(2-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 157496568) has the molecular formula C97H78ClN31O5S6 and a molecular weight of 1985.76 g/mol. Its IUPAC name is 6-[(6-chloro-3-pyridinyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(5-methylfuran-2-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(2-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-pyrazin-2-yl-6-(2-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 6-[(6-chloro-3-pyridinyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(5-methylfuran-2-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(2-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-pyrazin-2-yl-6-(2-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine
• PubChem CID: 157496568
• Molecular Formula: C97H78ClN31O5S6
• Molecular Weight: 1985.76 g/mol
• Exact Mass: 1983.48
• IUPAC Name: 6-[(6-chloro-3-pyridinyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(5-methylfuran-2-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(2-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-pyrazin-2-yl-6-(2-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine
• SMILES: CC(C)(c1ccccn1)c1cc2c(N)nc(-c3cnccn3)nc2s1.CC(C)(c1ccccn1)c1cc2c(N)nc(-c3ncco3)nc2s1.Cc1ccc(-c2nc(N)c3cc(Cc4ccc(Cl)nc4)sc3n2)o1.Cc1ccc(-c2nc(N)c3cc(Cc4cnccn4)sc3n2)o1.Nc1nc(-c2ncco2)nc2sc(Cc3ccccn3)cc12.Nc1nc(-c2ncco2)nc2sc(Cc3cnccn3)cc12
• InChI: InChI=1S/C18H16N6S.C17H13ClN4OS.C17H15N5OS.C16H13N5OS.C15H11N5OS.C14H10N6OS/c1-18(2,13-5-3-4-6-22-13)14-9-11-15(19)23-16(24-17(11)25-14)12-10-20-7-8-21-12;1-9-2-4-13(23-9)16-21-15(19)12-7-11(24-17(12)22-16)6-10-3-5-14(18)20-8-10;1-17(2,11-5-3-4-6-19-11)12-9-10-13(18)21-14(22-16(10)24-12)15-20-7-8-23-15;1-9-2-3-13(22-9)15-20-14(17)12-7-11(23-16(12)21-15)6-10-8-18-4-5-19-10;16-12-11-8-10(7-9-3-1-2-4-17-9)22-15(11)20-13(19-12)14-18-5-6-21-14;15-11-10-6-9(5-8-7-16-1-2-17-8)22-14(10)20-12(19-11)13-18-3-4-21-13/h3-10H,1-2H3,(H2,19,23,24);2-5,7-8H,6H2,1H3,(H2,19,21,22);3-9H,1-2H3,(H2,18,21,22);2-5,7-8H,6H2,1H3,(H2,17,20,21);1-6,8H,7H2,(H2,16,19,20);1-4,6-7H,5H2,(H2,15,19,20)
• InChIKey: BXXDXMNIZCQINR-UHFFFAOYSA-N
• XLogP: 20.03
• TPSA: 544.07 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 42
• Rotatable Bonds: 18
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1985.76
LogP ≤ 5	20.03
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[(6-chloro-3-pyridinyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(5-methylfuran-2-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(2-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-pyrazin-2-yl-6-(2-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine?

The IUPAC name of 6-[(6-chloro-3-pyridinyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(5-methylfuran-2-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(2-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-pyrazin-2-yl-6-(2-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine (CID 157496568) is 6-[(6-chloro-3-pyridinyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(5-methylfuran-2-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(2-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-pyrazin-2-yl-6-(2-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 6-[(6-chloro-3-pyridinyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(5-methylfuran-2-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(2-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-pyrazin-2-yl-6-(2-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 6-[(6-chloro-3-pyridinyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(5-methylfuran-2-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(2-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-pyrazin-2-yl-6-(2-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine is CC(C)(c1ccccn1)c1cc2c(N)nc(-c3cnccn3)nc2s1.CC(C)(c1ccccn1)c1cc2c(N)nc(-c3ncco3)nc2s1.Cc1ccc(-c2nc(N)c3cc(Cc4ccc(Cl)nc4)sc3n2)o1.Cc1ccc(-c2nc(N)c3cc(Cc4cnccn4)sc3n2)o1.Nc1nc(-c2ncco2)nc2sc(Cc3ccccn3)cc12.Nc1nc(-c2ncco2)nc2sc(Cc3cnccn3)cc12.

What is the InChIKey of 6-[(6-chloro-3-pyridinyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(5-methylfuran-2-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(2-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-pyrazin-2-yl-6-(2-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine?

The InChIKey is BXXDXMNIZCQINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6S.C17H13ClN4OS.C17H15N5OS.C16H13N5OS.C15H11N5OS.C14H10N6OS/c1-18(2,13-5-3-4-6-22-13)14-9-11-15(19)23-16(24-17(11)25-14)12-10-20-7-8-21-12;1-9-2-4-13(23-9)16-21-15(19)12-7-11(24-17(12)22-16)6-10-3-5-14(18)20-8-10;1-17(2,11-5-3-4-6-19-11)12-9-10-13(18)21-14(22-16(10)24-12)15-20-7-8-23-15;1-9-2-3-13(22-9)15-20-14(17)12-7-11(23-16(12)21-15)6-10-8-18-4-5-19-10;16-12-11-8-10(7-9-3-1-2-4-17-9)22-15(11)20-13(19-12)14-18-5-6-21-14;15-11-10-6-9(5-8-7-16-1-2-17-8)22-14(10)20-12(19-11)13-18-3-4-21-13/h3-10H,1-2H3,(H2,19,23,24);2-5,7-8H,6H2,1H3,(H2,19,21,22);3-9H,1-2H3,(H2,18,21,22);2-5,7-8H,6H2,1H3,(H2,17,20,21);1-6,8H,7H2,(H2,16,19,20);1-4,6-7H,5H2,(H2,15,19,20).

What are the key properties of 6-[(6-chloro-3-pyridinyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(5-methylfuran-2-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(2-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-pyrazin-2-yl-6-(2-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine?

6-[(6-chloro-3-pyridinyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(5-methylfuran-2-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(2-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-pyrazin-2-yl-6-(2-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 1985.76 g/mol, XLogP of 20.03, 18 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(6-chloro-3-pyridinyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(5-methylfuran-2-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1,3-oxazol-2-yl)-6-(2-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-pyrazin-2-yl-6-(2-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 157496568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).