(2S)-2-hydroxy-3-[4-[(7-methyl-4-morpholin-4-yl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]propanal

C24H30N6O3S — CID 87669676

About (2S)-2-hydroxy-3-[4-[(7-methyl-4-morpholin-4-yl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]propanal

(2S)-2-hydroxy-3-[4-[(7-methyl-4-morpholin-4-yl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]propanal (PubChem CID 87669676) has the molecular formula C24H30N6O3S and a molecular weight of 482.61 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-[4-[(7-methyl-4-morpholin-4-yl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]propanal.

Molecular Properties

• Compound Name: (2S)-2-hydroxy-3-[4-[(7-methyl-4-morpholin-4-yl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]propanal
• PubChem CID: 87669676
• Molecular Formula: C24H30N6O3S
• Molecular Weight: 482.61 g/mol
• Exact Mass: 482.21
• IUPAC Name: (2S)-2-hydroxy-3-[4-[(7-methyl-4-morpholin-4-yl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]propanal
• SMILES: Cc1c(CN2CCN(C[C@H](O)C=O)CC2)sc2c(N3CCOCC3)nc(-c3cccnc3)nc12
• InChI: InChI=1S/C24H30N6O3S/c1-17-20(15-29-7-5-28(6-8-29)14-19(32)16-31)34-22-21(17)26-23(18-3-2-4-25-13-18)27-24(22)30-9-11-33-12-10-30/h2-4,13,16,19,32H,5-12,14-15H2,1H3/t19-/m0/s1
• InChIKey: LLCCVFZHCPYTPI-IBGZPJMESA-N
• XLogP: 1.58
• TPSA: 94.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.61
LogP ≤ 5	1.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-[4-[(7-methyl-4-morpholin-4-yl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]propanal?

The IUPAC name of (2S)-2-hydroxy-3-[4-[(7-methyl-4-morpholin-4-yl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]propanal (CID 87669676) is (2S)-2-hydroxy-3-[4-[(7-methyl-4-morpholin-4-yl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]propanal.

What is the SMILES notation for (2S)-2-hydroxy-3-[4-[(7-methyl-4-morpholin-4-yl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]propanal?

The canonical SMILES for (2S)-2-hydroxy-3-[4-[(7-methyl-4-morpholin-4-yl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]propanal is Cc1c(CN2CCN(C[C@H](O)C=O)CC2)sc2c(N3CCOCC3)nc(-c3cccnc3)nc12.

What is the InChIKey of (2S)-2-hydroxy-3-[4-[(7-methyl-4-morpholin-4-yl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]propanal?

The InChIKey is LLCCVFZHCPYTPI-IBGZPJMESA-N. The full InChI is InChI=1S/C24H30N6O3S/c1-17-20(15-29-7-5-28(6-8-29)14-19(32)16-31)34-22-21(17)26-23(18-3-2-4-25-13-18)27-24(22)30-9-11-33-12-10-30/h2-4,13,16,19,32H,5-12,14-15H2,1H3/t19-/m0/s1.

What are the key properties of (2S)-2-hydroxy-3-[4-[(7-methyl-4-morpholin-4-yl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]propanal?

(2S)-2-hydroxy-3-[4-[(7-methyl-4-morpholin-4-yl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]propanal has a molecular weight of 482.61 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-hydroxy-3-[4-[(7-methyl-4-morpholin-4-yl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]propanal is sourced from PubChem (CID 87669676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).