N-butan-2-yl-5,6-diphenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-N-methyl-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;2-(1-methylimidazol-2-yl)-5,6-diphenyl-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidin-4-amine

C130H122N24O4S5 — CID 157403909

About N-butan-2-yl-5,6-diphenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-N-methyl-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;2-(1-methylimidazol-2-yl)-5,6-diphenyl-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidin-4-amine

N-butan-2-yl-5,6-diphenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-N-methyl-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;2-(1-methylimidazol-2-yl)-5,6-diphenyl-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 157403909) has the molecular formula C130H122N24O4S5 and a molecular weight of 2244.90 g/mol. Its IUPAC name is N-butan-2-yl-5,6-diphenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-N-methyl-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;2-(1-methylimidazol-2-yl)-5,6-diphenyl-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-butan-2-yl-5,6-diphenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-N-methyl-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;2-(1-methylimidazol-2-yl)-5,6-diphenyl-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidin-4-amine
• PubChem CID: 157403909
• Molecular Formula: C130H122N24O4S5
• Molecular Weight: 2244.90 g/mol
• Exact Mass: 2242.87
• IUPAC Name: N-butan-2-yl-5,6-diphenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-N-methyl-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;2-(1-methylimidazol-2-yl)-5,6-diphenyl-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidin-4-amine
• SMILES: CC(C)OCCNc1nc(-c2nccn2C)nc2sc(-c3ccccc3)c(-c3ccccc3)c12.CCC(C)Nc1nc(-c2ccccn2)nc2sc(-c3ccccc3)c(-c3ccccc3)c12.COCCN(C)c1nc(-c2nccn2C)nc2sc(-c3ccccc3)c(-c3ccccc3)c12.COCCNc1nc(-c2cn(C)cn2)nc2sc(-c3ccccc3)c(-c3ccccc3)c12.COCCNc1nc(-c2nccn2C)nc2sc(-c3ccccc3)c(-c3ccccc3)c12
• InChI: InChI=1S/C27H27N5OS.C27H24N4S.C26H25N5OS.2C25H23N5OS/c1-18(2)33-17-15-28-24-22-21(19-10-6-4-7-11-19)23(20-12-8-5-9-13-20)34-27(22)31-25(30-24)26-29-14-16-32(26)3;1-3-18(2)29-26-23-22(19-12-6-4-7-13-19)24(20-14-8-5-9-15-20)32-27(23)31-25(30-26)21-16-10-11-17-28-21;1-30-15-14-27-25(30)23-28-24(31(2)16-17-32-3)21-20(18-10-6-4-7-11-18)22(33-26(21)29-23)19-12-8-5-9-13-19;1-30-15-13-27-24(30)23-28-22(26-14-16-31-2)20-19(17-9-5-3-6-10-17)21(32-25(20)29-23)18-11-7-4-8-12-18;1-30-15-19(27-16-30)23-28-24(26-13-14-31-2)21-20(17-9-5-3-6-10-17)22(32-25(21)29-23)18-11-7-4-8-12-18/h4-14,16,18H,15,17H2,1-3H3,(H,28,30,31);4-18H,3H2,1-2H3,(H,29,30,31);4-15H,16-17H2,1-3H3;3-13,15H,14,16H2,1-2H3,(H,26,28,29);3-12,15-16H,13-14H2,1-2H3,(H,26,28,29)
• InChIKey: BNMKSLYDXZAMSQ-UHFFFAOYSA-N
• XLogP: 30.04
• TPSA: 301.35 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 33
• Rotatable Bonds: 35
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2244.90
LogP ≤ 5	30.04
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5,6-diphenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-N-methyl-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;2-(1-methylimidazol-2-yl)-5,6-diphenyl-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidin-4-amine?

The IUPAC name of N-butan-2-yl-5,6-diphenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-N-methyl-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;2-(1-methylimidazol-2-yl)-5,6-diphenyl-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidin-4-amine (CID 157403909) is N-butan-2-yl-5,6-diphenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-N-methyl-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;2-(1-methylimidazol-2-yl)-5,6-diphenyl-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for N-butan-2-yl-5,6-diphenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-N-methyl-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;2-(1-methylimidazol-2-yl)-5,6-diphenyl-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidin-4-amine?

The canonical SMILES for N-butan-2-yl-5,6-diphenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-N-methyl-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;2-(1-methylimidazol-2-yl)-5,6-diphenyl-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidin-4-amine is CC(C)OCCNc1nc(-c2nccn2C)nc2sc(-c3ccccc3)c(-c3ccccc3)c12.CCC(C)Nc1nc(-c2ccccn2)nc2sc(-c3ccccc3)c(-c3ccccc3)c12.COCCN(C)c1nc(-c2nccn2C)nc2sc(-c3ccccc3)c(-c3ccccc3)c12.COCCNc1nc(-c2cn(C)cn2)nc2sc(-c3ccccc3)c(-c3ccccc3)c12.COCCNc1nc(-c2nccn2C)nc2sc(-c3ccccc3)c(-c3ccccc3)c12.

What is the InChIKey of N-butan-2-yl-5,6-diphenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-N-methyl-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;2-(1-methylimidazol-2-yl)-5,6-diphenyl-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidin-4-amine?

The InChIKey is BNMKSLYDXZAMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5OS.C27H24N4S.C26H25N5OS.2C25H23N5OS/c1-18(2)33-17-15-28-24-22-21(19-10-6-4-7-11-19)23(20-12-8-5-9-13-20)34-27(22)31-25(30-24)26-29-14-16-32(26)3;1-3-18(2)29-26-23-22(19-12-6-4-7-13-19)24(20-14-8-5-9-15-20)32-27(23)31-25(30-26)21-16-10-11-17-28-21;1-30-15-14-27-25(30)23-28-24(31(2)16-17-32-3)21-20(18-10-6-4-7-11-18)22(33-26(21)29-23)19-12-8-5-9-13-19;1-30-15-13-27-24(30)23-28-22(26-14-16-31-2)20-19(17-9-5-3-6-10-17)21(32-25(20)29-23)18-11-7-4-8-12-18;1-30-15-19(27-16-30)23-28-24(26-13-14-31-2)21-20(17-9-5-3-6-10-17)22(32-25(21)29-23)18-11-7-4-8-12-18/h4-14,16,18H,15,17H2,1-3H3,(H,28,30,31);4-18H,3H2,1-2H3,(H,29,30,31);4-15H,16-17H2,1-3H3;3-13,15H,14,16H2,1-2H3,(H,26,28,29);3-12,15-16H,13-14H2,1-2H3,(H,26,28,29).

What are the key properties of N-butan-2-yl-5,6-diphenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-N-methyl-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;2-(1-methylimidazol-2-yl)-5,6-diphenyl-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidin-4-amine?

N-butan-2-yl-5,6-diphenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-N-methyl-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;2-(1-methylimidazol-2-yl)-5,6-diphenyl-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 2244.90 g/mol, XLogP of 30.04, 35 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-butan-2-yl-5,6-diphenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-N-methyl-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;2-(1-methylimidazol-2-yl)-5,6-diphenyl-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 157403909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).