2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carbaldehyde;[4-[(2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)methyl]piperazin-1-yl]methanesulfinate;4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)morpholine

C37H41Cl3N11O6S4- — CID 158576213

About 2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carbaldehyde;[4-[(2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)methyl]piperazin-1-yl]methanesulfinate;4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)morpholine

2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carbaldehyde;[4-[(2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)methyl]piperazin-1-yl]methanesulfinate;4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)morpholine (PubChem CID 158576213) has the molecular formula C37H41Cl3N11O6S4- and a molecular weight of 970.43 g/mol. Its IUPAC name is 2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carbaldehyde;[4-[(2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)methyl]piperazin-1-yl]methanesulfinate;4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)morpholine.

Molecular Properties

• Compound Name: 2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carbaldehyde;[4-[(2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)methyl]piperazin-1-yl]methanesulfinate;4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)morpholine
• PubChem CID: 158576213
• Molecular Formula: C37H41Cl3N11O6S4-
• Molecular Weight: 970.43 g/mol
• Exact Mass: 968.12
• IUPAC Name: 2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carbaldehyde;[4-[(2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)methyl]piperazin-1-yl]methanesulfinate;4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)morpholine
• SMILES: Clc1nc(N2CCOCC2)c2ccsc2n1.O=Cc1cc2c(N3CCOCC3)nc(Cl)nc2s1.O=S([O-])CN1CCN(Cc2cc3c(N4CCOCC4)nc(Cl)nc3s2)CC1
• InChI: InChI=1S/C16H22ClN5O3S2.C11H10ClN3O2S.C10H10ClN3OS/c17-16-18-14(22-5-7-25-8-6-22)13-9-12(26-15(13)19-16)10-20-1-3-21(4-2-20)11-27(23)24;12-11-13-9(15-1-3-17-4-2-15)8-5-7(6-16)18-10(8)14-11;11-10-12-8(14-2-4-15-5-3-14)7-1-6-16-9(7)13-10/h9H,1-8,10-11H2,(H,23,24);5-6H,1-4H2;1,6H,2-5H2/p-1
• InChIKey: XMRQIKFUZGPZPG-UHFFFAOYSA-M
• XLogP: 5.31
• TPSA: 178.43 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	970.43
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carbaldehyde;[4-[(2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)methyl]piperazin-1-yl]methanesulfinate;4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)morpholine?

The IUPAC name of 2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carbaldehyde;[4-[(2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)methyl]piperazin-1-yl]methanesulfinate;4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)morpholine (CID 158576213) is 2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carbaldehyde;[4-[(2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)methyl]piperazin-1-yl]methanesulfinate;4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)morpholine.

What is the SMILES notation for 2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carbaldehyde;[4-[(2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)methyl]piperazin-1-yl]methanesulfinate;4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)morpholine?

The canonical SMILES for 2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carbaldehyde;[4-[(2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)methyl]piperazin-1-yl]methanesulfinate;4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)morpholine is Clc1nc(N2CCOCC2)c2ccsc2n1.O=Cc1cc2c(N3CCOCC3)nc(Cl)nc2s1.O=S([O-])CN1CCN(Cc2cc3c(N4CCOCC4)nc(Cl)nc3s2)CC1.

What is the InChIKey of 2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carbaldehyde;[4-[(2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)methyl]piperazin-1-yl]methanesulfinate;4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)morpholine?

The InChIKey is XMRQIKFUZGPZPG-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H22ClN5O3S2.C11H10ClN3O2S.C10H10ClN3OS/c17-16-18-14(22-5-7-25-8-6-22)13-9-12(26-15(13)19-16)10-20-1-3-21(4-2-20)11-27(23)24;12-11-13-9(15-1-3-17-4-2-15)8-5-7(6-16)18-10(8)14-11;11-10-12-8(14-2-4-15-5-3-14)7-1-6-16-9(7)13-10/h9H,1-8,10-11H2,(H,23,24);5-6H,1-4H2;1,6H,2-5H2/p-1.

What are the key properties of 2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carbaldehyde;[4-[(2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)methyl]piperazin-1-yl]methanesulfinate;4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)morpholine?

2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carbaldehyde;[4-[(2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)methyl]piperazin-1-yl]methanesulfinate;4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)morpholine has a molecular weight of 970.43 g/mol, XLogP of 5.31, 8 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carbaldehyde;[4-[(2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)methyl]piperazin-1-yl]methanesulfinate;4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 158576213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).