N-[(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;1-(2-hydroxyethyl)-4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one;6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;2-[4-(6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-propylacetamide;1-(6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazole-3-carbonitrile

C121H105N31O3S5 — CID 159080098

About N-[(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;1-(2-hydroxyethyl)-4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one;6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;2-[4-(6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-propylacetamide;1-(6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazole-3-carbonitrile

N-[(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;1-(2-hydroxyethyl)-4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one;6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;2-[4-(6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-propylacetamide;1-(6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazole-3-carbonitrile (PubChem CID 159080098) has the molecular formula C121H105N31O3S5 and a molecular weight of 2201.72 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;1-(2-hydroxyethyl)-4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one;6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;2-[4-(6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-propylacetamide;1-(6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazole-3-carbonitrile.

Molecular Properties

• Compound Name: N-[(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;1-(2-hydroxyethyl)-4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one;6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;2-[4-(6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-propylacetamide;1-(6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazole-3-carbonitrile
• PubChem CID: 159080098
• Molecular Formula: C121H105N31O3S5
• Molecular Weight: 2201.72 g/mol
• Exact Mass: 2199.76
• IUPAC Name: N-[(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;1-(2-hydroxyethyl)-4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one;6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;2-[4-(6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-propylacetamide;1-(6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazole-3-carbonitrile
• SMILES: CCCNC(=O)CN1CCN(c2nc(-c3ccccn3)nc3sc(-c4ccccc4)cc23)CC1.Cc1nnc(C(Nc2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)c2ccccc2)n1C.Cc1sc2nc(-c3ccccn3)nc(NCCc3nccn3C)c2c1-c1ccccc1.N#Cc1ncn(-c2nc(-c3ccccn3)nc3sc(-c4ccccc4)cc23)n1.O=C1CN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CCN1CCO
• InChI: InChI=1S/C28H23N7S.C26H28N6OS.C24H22N6S.C23H21N5O2S.C20H11N7S/c1-18-33-34-27(35(18)2)24(20-13-7-4-8-14-20)30-26-23-21(19-11-5-3-6-12-19)17-36-28(23)32-25(31-26)22-15-9-10-16-29-22;1-2-11-28-23(33)18-31-13-15-32(16-14-31)25-20-17-22(19-8-4-3-5-9-19)34-26(20)30-24(29-25)21-10-6-7-12-27-21;1-16-20(17-8-4-3-5-9-17)21-23(27-13-11-19-26-14-15-30(19)2)28-22(29-24(21)31-16)18-10-6-7-12-25-18;29-13-12-27-10-11-28(14-19(27)30)22-20-17(16-6-2-1-3-7-16)15-31-23(20)26-21(25-22)18-8-4-5-9-24-18;21-11-17-23-12-27(26-17)19-14-10-16(13-6-2-1-3-7-13)28-20(14)25-18(24-19)15-8-4-5-9-22-15/h3-17,24H,1-2H3,(H,30,31,32);3-10,12,17H,2,11,13-16,18H2,1H3,(H,28,33);3-10,12,14-15H,11,13H2,1-2H3,(H,27,28,29);1-9,15,29H,10-14H2;1-10,12H
• InChIKey: KATBOZFXEHYPRH-UHFFFAOYSA-N
• XLogP: 22.18
• TPSA: 399.80 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 37
• Rotatable Bonds: 27
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2201.72
LogP ≤ 5	22.18
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;1-(2-hydroxyethyl)-4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one;6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;2-[4-(6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-propylacetamide;1-(6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazole-3-carbonitrile?

The IUPAC name of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;1-(2-hydroxyethyl)-4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one;6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;2-[4-(6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-propylacetamide;1-(6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazole-3-carbonitrile (CID 159080098) is N-[(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;1-(2-hydroxyethyl)-4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one;6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;2-[4-(6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-propylacetamide;1-(6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazole-3-carbonitrile.

What is the SMILES notation for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;1-(2-hydroxyethyl)-4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one;6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;2-[4-(6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-propylacetamide;1-(6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazole-3-carbonitrile?

The canonical SMILES for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;1-(2-hydroxyethyl)-4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one;6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;2-[4-(6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-propylacetamide;1-(6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazole-3-carbonitrile is CCCNC(=O)CN1CCN(c2nc(-c3ccccn3)nc3sc(-c4ccccc4)cc23)CC1.Cc1nnc(C(Nc2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)c2ccccc2)n1C.Cc1sc2nc(-c3ccccn3)nc(NCCc3nccn3C)c2c1-c1ccccc1.N#Cc1ncn(-c2nc(-c3ccccn3)nc3sc(-c4ccccc4)cc23)n1.O=C1CN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CCN1CCO.

What is the InChIKey of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;1-(2-hydroxyethyl)-4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one;6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;2-[4-(6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-propylacetamide;1-(6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazole-3-carbonitrile?

The InChIKey is KATBOZFXEHYPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N7S.C26H28N6OS.C24H22N6S.C23H21N5O2S.C20H11N7S/c1-18-33-34-27(35(18)2)24(20-13-7-4-8-14-20)30-26-23-21(19-11-5-3-6-12-19)17-36-28(23)32-25(31-26)22-15-9-10-16-29-22;1-2-11-28-23(33)18-31-13-15-32(16-14-31)25-20-17-22(19-8-4-3-5-9-19)34-26(20)30-24(29-25)21-10-6-7-12-27-21;1-16-20(17-8-4-3-5-9-17)21-23(27-13-11-19-26-14-15-30(19)2)28-22(29-24(21)31-16)18-10-6-7-12-25-18;29-13-12-27-10-11-28(14-19(27)30)22-20-17(16-6-2-1-3-7-16)15-31-23(20)26-21(25-22)18-8-4-5-9-24-18;21-11-17-23-12-27(26-17)19-14-10-16(13-6-2-1-3-7-13)28-20(14)25-18(24-19)15-8-4-5-9-22-15/h3-17,24H,1-2H3,(H,30,31,32);3-10,12,17H,2,11,13-16,18H2,1H3,(H,28,33);3-10,12,14-15H,11,13H2,1-2H3,(H,27,28,29);1-9,15,29H,10-14H2;1-10,12H.

What are the key properties of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;1-(2-hydroxyethyl)-4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one;6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;2-[4-(6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-propylacetamide;1-(6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazole-3-carbonitrile?

N-[(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;1-(2-hydroxyethyl)-4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one;6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;2-[4-(6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-propylacetamide;1-(6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazole-3-carbonitrile has a molecular weight of 2201.72 g/mol, XLogP of 22.18, 27 rotatable bonds, 4 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)-phenylmethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;1-(2-hydroxyethyl)-4-(5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one;6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;2-[4-(6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-propylacetamide;1-(6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,2,4-triazole-3-carbonitrile is sourced from PubChem (CID 159080098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).