2-hydroxyacetic acid;2-hydroxy-1-[4-[[4-(1H-inden-4-yl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;4-[4-(1H-inden-4-yl)-6-methyl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine

C54H64N10O7S2 — CID 159589473

About 2-hydroxyacetic acid;2-hydroxy-1-[4-[[4-(1H-inden-4-yl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;4-[4-(1H-inden-4-yl)-6-methyl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine

2-hydroxyacetic acid;2-hydroxy-1-[4-[[4-(1H-inden-4-yl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;4-[4-(1H-inden-4-yl)-6-methyl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine (PubChem CID 159589473) has the molecular formula C54H64N10O7S2 and a molecular weight of 1029.30 g/mol. Its IUPAC name is 2-hydroxyacetic acid;2-hydroxy-1-[4-[[4-(1H-inden-4-yl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;4-[4-(1H-inden-4-yl)-6-methyl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine.

Molecular Properties

• Compound Name: 2-hydroxyacetic acid;2-hydroxy-1-[4-[[4-(1H-inden-4-yl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;4-[4-(1H-inden-4-yl)-6-methyl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine
• PubChem CID: 159589473
• Molecular Formula: C54H64N10O7S2
• Molecular Weight: 1029.30 g/mol
• Exact Mass: 1028.44
• IUPAC Name: 2-hydroxyacetic acid;2-hydroxy-1-[4-[[4-(1H-inden-4-yl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;4-[4-(1H-inden-4-yl)-6-methyl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine
• SMILES: Cc1sc2c(-c3cccc4c3C=CC4)nc(N3CCOCC3)nc2c1CN1CCN(C(=O)CO)CC1.Cc1sc2c(-c3cccc4c3C=CC4)nc(N3CCOCC3)nc2c1CN1CCNCC1.O=C(O)CO
• InChI: InChI=1S/C27H31N5O3S.C25H29N5OS.C2H4O3/c1-18-22(16-30-8-10-31(11-9-30)23(34)17-33)25-26(36-18)24(21-7-3-5-19-4-2-6-20(19)21)28-27(29-25)32-12-14-35-15-13-32;1-17-21(16-29-10-8-26-9-11-29)23-24(32-17)22(20-7-3-5-18-4-2-6-19(18)20)27-25(28-23)30-12-14-31-15-13-30;3-1-2(4)5/h2-3,5-7,33H,4,8-17H2,1H3;2-3,5-7,26H,4,8-16H2,1H3;3H,1H2,(H,4,5)
• InChIKey: MKAZLIMYHPDYKV-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 193.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 10
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1029.30
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyacetic acid;2-hydroxy-1-[4-[[4-(1H-inden-4-yl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;4-[4-(1H-inden-4-yl)-6-methyl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine?

The IUPAC name of 2-hydroxyacetic acid;2-hydroxy-1-[4-[[4-(1H-inden-4-yl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;4-[4-(1H-inden-4-yl)-6-methyl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine (CID 159589473) is 2-hydroxyacetic acid;2-hydroxy-1-[4-[[4-(1H-inden-4-yl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;4-[4-(1H-inden-4-yl)-6-methyl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine.

What is the SMILES notation for 2-hydroxyacetic acid;2-hydroxy-1-[4-[[4-(1H-inden-4-yl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;4-[4-(1H-inden-4-yl)-6-methyl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine?

The canonical SMILES for 2-hydroxyacetic acid;2-hydroxy-1-[4-[[4-(1H-inden-4-yl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;4-[4-(1H-inden-4-yl)-6-methyl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine is Cc1sc2c(-c3cccc4c3C=CC4)nc(N3CCOCC3)nc2c1CN1CCN(C(=O)CO)CC1.Cc1sc2c(-c3cccc4c3C=CC4)nc(N3CCOCC3)nc2c1CN1CCNCC1.O=C(O)CO.

What is the InChIKey of 2-hydroxyacetic acid;2-hydroxy-1-[4-[[4-(1H-inden-4-yl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;4-[4-(1H-inden-4-yl)-6-methyl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine?

The InChIKey is MKAZLIMYHPDYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O3S.C25H29N5OS.C2H4O3/c1-18-22(16-30-8-10-31(11-9-30)23(34)17-33)25-26(36-18)24(21-7-3-5-19-4-2-6-20(19)21)28-27(29-25)32-12-14-35-15-13-32;1-17-21(16-29-10-8-26-9-11-29)23-24(32-17)22(20-7-3-5-18-4-2-6-19(18)20)27-25(28-23)30-12-14-31-15-13-30;3-1-2(4)5/h2-3,5-7,33H,4,8-17H2,1H3;2-3,5-7,26H,4,8-16H2,1H3;3H,1H2,(H,4,5).

What are the key properties of 2-hydroxyacetic acid;2-hydroxy-1-[4-[[4-(1H-inden-4-yl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;4-[4-(1H-inden-4-yl)-6-methyl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine?

2-hydroxyacetic acid;2-hydroxy-1-[4-[[4-(1H-inden-4-yl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;4-[4-(1H-inden-4-yl)-6-methyl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine has a molecular weight of 1029.30 g/mol, XLogP of 5.25, 10 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxyacetic acid;2-hydroxy-1-[4-[[4-(1H-inden-4-yl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]ethanone;4-[4-(1H-inden-4-yl)-6-methyl-7-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 159589473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).