4-[4-(2-methoxyethoxy)phenyl]-6-propylsulfinyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;4-[2-methoxy-8-(2-methoxyethylsulfinyl)-7H-purin-6-yl]morpholine

C34H41N9O7S4 — CID 145153633

About 4-[4-(2-methoxyethoxy)phenyl]-6-propylsulfinyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;4-[2-methoxy-8-(2-methoxyethylsulfinyl)-7H-purin-6-yl]morpholine

4-[4-(2-methoxyethoxy)phenyl]-6-propylsulfinyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;4-[2-methoxy-8-(2-methoxyethylsulfinyl)-7H-purin-6-yl]morpholine (PubChem CID 145153633) has the molecular formula C34H41N9O7S4 and a molecular weight of 816.03 g/mol. Its IUPAC name is 4-[4-(2-methoxyethoxy)phenyl]-6-propylsulfinyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;4-[2-methoxy-8-(2-methoxyethylsulfinyl)-7H-purin-6-yl]morpholine.

Molecular Properties

• Compound Name: 4-[4-(2-methoxyethoxy)phenyl]-6-propylsulfinyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;4-[2-methoxy-8-(2-methoxyethylsulfinyl)-7H-purin-6-yl]morpholine
• PubChem CID: 145153633
• Molecular Formula: C34H41N9O7S4
• Molecular Weight: 816.03 g/mol
• Exact Mass: 815.20
• IUPAC Name: 4-[4-(2-methoxyethoxy)phenyl]-6-propylsulfinyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;4-[2-methoxy-8-(2-methoxyethylsulfinyl)-7H-purin-6-yl]morpholine
• SMILES: CCCS(=O)c1sc2nc(-c3nccs3)nc(-c3ccc(OCCOC)cc3)c2c1N.COCCS(=O)c1nc2nc(OC)nc(N3CCOCC3)c2[nH]1
• InChI: InChI=1S/C21H22N4O3S3.C13H19N5O4S/c1-3-12-31(26)21-16(22)15-17(13-4-6-14(7-5-13)28-10-9-27-2)24-18(25-19(15)30-21)20-23-8-11-29-20;1-20-7-8-23(19)13-14-9-10(16-13)15-12(21-2)17-11(9)18-3-5-22-6-4-18/h4-8,11H,3,9-10,12,22H2,1-2H3;3-8H2,1-2H3,(H,14,15,16,17)
• InChIKey: UDIXLOLVYGTOAC-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 202.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	816.03
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyethoxy)phenyl]-6-propylsulfinyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;4-[2-methoxy-8-(2-methoxyethylsulfinyl)-7H-purin-6-yl]morpholine?

The IUPAC name of 4-[4-(2-methoxyethoxy)phenyl]-6-propylsulfinyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;4-[2-methoxy-8-(2-methoxyethylsulfinyl)-7H-purin-6-yl]morpholine (CID 145153633) is 4-[4-(2-methoxyethoxy)phenyl]-6-propylsulfinyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;4-[2-methoxy-8-(2-methoxyethylsulfinyl)-7H-purin-6-yl]morpholine.

What is the SMILES notation for 4-[4-(2-methoxyethoxy)phenyl]-6-propylsulfinyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;4-[2-methoxy-8-(2-methoxyethylsulfinyl)-7H-purin-6-yl]morpholine?

The canonical SMILES for 4-[4-(2-methoxyethoxy)phenyl]-6-propylsulfinyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;4-[2-methoxy-8-(2-methoxyethylsulfinyl)-7H-purin-6-yl]morpholine is CCCS(=O)c1sc2nc(-c3nccs3)nc(-c3ccc(OCCOC)cc3)c2c1N.COCCS(=O)c1nc2nc(OC)nc(N3CCOCC3)c2[nH]1.

What is the InChIKey of 4-[4-(2-methoxyethoxy)phenyl]-6-propylsulfinyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;4-[2-methoxy-8-(2-methoxyethylsulfinyl)-7H-purin-6-yl]morpholine?

The InChIKey is UDIXLOLVYGTOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S3.C13H19N5O4S/c1-3-12-31(26)21-16(22)15-17(13-4-6-14(7-5-13)28-10-9-27-2)24-18(25-19(15)30-21)20-23-8-11-29-20;1-20-7-8-23(19)13-14-9-10(16-13)15-12(21-2)17-11(9)18-3-5-22-6-4-18/h4-8,11H,3,9-10,12,22H2,1-2H3;3-8H2,1-2H3,(H,14,15,16,17).

What are the key properties of 4-[4-(2-methoxyethoxy)phenyl]-6-propylsulfinyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;4-[2-methoxy-8-(2-methoxyethylsulfinyl)-7H-purin-6-yl]morpholine?

4-[4-(2-methoxyethoxy)phenyl]-6-propylsulfinyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;4-[2-methoxy-8-(2-methoxyethylsulfinyl)-7H-purin-6-yl]morpholine has a molecular weight of 816.03 g/mol, XLogP of 4.56, 15 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(2-methoxyethoxy)phenyl]-6-propylsulfinyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;4-[2-methoxy-8-(2-methoxyethylsulfinyl)-7H-purin-6-yl]morpholine is sourced from PubChem (CID 145153633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).