N-[(2R)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

C20H23ClN4O2S — CID 92613511

About N-[(2R)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

N-[(2R)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 92613511) has the molecular formula C20H23ClN4O2S and a molecular weight of 418.95 g/mol. Its IUPAC name is N-[(2R)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 92613511
• Molecular Formula: C20H23ClN4O2S
• Molecular Weight: 418.95 g/mol
• Exact Mass: 418.12
• IUPAC Name: N-[(2R)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
• SMILES: CCn1cnc2sc(C(=O)NC[C@@H](c3cccc(Cl)c3)N(C)C)c(C)c2c1=O
• InChI: InChI=1S/C20H23ClN4O2S/c1-5-25-11-23-19-16(20(25)27)12(2)17(28-19)18(26)22-10-15(24(3)4)13-7-6-8-14(21)9-13/h6-9,11,15H,5,10H2,1-4H3,(H,22,26)/t15-/m0/s1
• InChIKey: ZNNVSZYHKLEFAS-HNNXBMFYSA-N
• XLogP: 3.47
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.95
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of N-[(2R)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (CID 92613511) is N-[(2R)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for N-[(2R)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for N-[(2R)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is CCn1cnc2sc(C(=O)NC[C@@H](c3cccc(Cl)c3)N(C)C)c(C)c2c1=O.

What is the InChIKey of N-[(2R)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is ZNNVSZYHKLEFAS-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23ClN4O2S/c1-5-25-11-23-19-16(20(25)27)12(2)17(28-19)18(26)22-10-15(24(3)4)13-7-6-8-14(21)9-13/h6-9,11,15H,5,10H2,1-4H3,(H,22,26)/t15-/m0/s1.

What are the key properties of N-[(2R)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?

N-[(2R)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 418.95 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 92613511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).