benzoyl chloride;1-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-N-methylmethanamine;N-[(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylbenzamide

C40H43Cl3N8O4S2 — CID 162026956

About benzoyl chloride;1-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-N-methylmethanamine;N-[(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylbenzamide

benzoyl chloride;1-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-N-methylmethanamine;N-[(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylbenzamide (PubChem CID 162026956) has the molecular formula C40H43Cl3N8O4S2 and a molecular weight of 870.33 g/mol. Its IUPAC name is benzoyl chloride;1-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-N-methylmethanamine;N-[(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylbenzamide.

Molecular Properties

• Compound Name: benzoyl chloride;1-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-N-methylmethanamine;N-[(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylbenzamide
• PubChem CID: 162026956
• Molecular Formula: C40H43Cl3N8O4S2
• Molecular Weight: 870.33 g/mol
• Exact Mass: 868.19
• IUPAC Name: benzoyl chloride;1-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-N-methylmethanamine;N-[(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylbenzamide
• SMILES: CNCc1sc2c(N3CCOCC3)nc(Cl)nc2c1C.Cc1c(CN(C)C(=O)c2ccccc2)sc2c(N3CCOCC3)nc(Cl)nc12.O=C(Cl)c1ccccc1
• InChI: InChI=1S/C20H21ClN4O2S.C13H17ClN4OS.C7H5ClO/c1-13-15(12-24(2)19(26)14-6-4-3-5-7-14)28-17-16(13)22-20(21)23-18(17)25-8-10-27-11-9-25;1-8-9(7-15-2)20-11-10(8)16-13(14)17-12(11)18-3-5-19-6-4-18;8-7(9)6-4-2-1-3-5-6/h3-7H,8-12H2,1-2H3;15H,3-7H2,1-2H3;1-5H
• InChIKey: YVMWJFIIBRHGKC-UHFFFAOYSA-N
• XLogP: 8.04
• TPSA: 125.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	870.33
LogP ≤ 5	8.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzoyl chloride;1-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-N-methylmethanamine;N-[(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylbenzamide?

The IUPAC name of benzoyl chloride;1-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-N-methylmethanamine;N-[(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylbenzamide (CID 162026956) is benzoyl chloride;1-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-N-methylmethanamine;N-[(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylbenzamide.

What is the SMILES notation for benzoyl chloride;1-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-N-methylmethanamine;N-[(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylbenzamide?

The canonical SMILES for benzoyl chloride;1-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-N-methylmethanamine;N-[(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylbenzamide is CNCc1sc2c(N3CCOCC3)nc(Cl)nc2c1C.Cc1c(CN(C)C(=O)c2ccccc2)sc2c(N3CCOCC3)nc(Cl)nc12.O=C(Cl)c1ccccc1.

What is the InChIKey of benzoyl chloride;1-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-N-methylmethanamine;N-[(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylbenzamide?

The InChIKey is YVMWJFIIBRHGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2S.C13H17ClN4OS.C7H5ClO/c1-13-15(12-24(2)19(26)14-6-4-3-5-7-14)28-17-16(13)22-20(21)23-18(17)25-8-10-27-11-9-25;1-8-9(7-15-2)20-11-10(8)16-13(14)17-12(11)18-3-5-19-6-4-18;8-7(9)6-4-2-1-3-5-6/h3-7H,8-12H2,1-2H3;15H,3-7H2,1-2H3;1-5H.

What are the key properties of benzoyl chloride;1-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-N-methylmethanamine;N-[(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylbenzamide?

benzoyl chloride;1-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-N-methylmethanamine;N-[(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylbenzamide has a molecular weight of 870.33 g/mol, XLogP of 8.04, 8 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for benzoyl chloride;1-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-N-methylmethanamine;N-[(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 162026956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).