3-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]-1-(2-methylpropyl)-5-(1,2-oxazolidine-2-carbonyl)thieno[2,3-d]pyrimidine-2,4-dione

C24H27N5O4S — CID 142209695

About 3-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]-1-(2-methylpropyl)-5-(1,2-oxazolidine-2-carbonyl)thieno[2,3-d]pyrimidine-2,4-dione

3-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]-1-(2-methylpropyl)-5-(1,2-oxazolidine-2-carbonyl)thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 142209695) has the molecular formula C24H27N5O4S and a molecular weight of 481.58 g/mol. Its IUPAC name is 3-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]-1-(2-methylpropyl)-5-(1,2-oxazolidine-2-carbonyl)thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 3-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]-1-(2-methylpropyl)-5-(1,2-oxazolidine-2-carbonyl)thieno[2,3-d]pyrimidine-2,4-dione
• PubChem CID: 142209695
• Molecular Formula: C24H27N5O4S
• Molecular Weight: 481.58 g/mol
• Exact Mass: 481.18
• IUPAC Name: 3-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]-1-(2-methylpropyl)-5-(1,2-oxazolidine-2-carbonyl)thieno[2,3-d]pyrimidine-2,4-dione
• SMILES: Cc1nc2ccccc2n1Cc1sc2c(c1C(=O)N1CCCO1)c(=O)n(C)c(=O)n2CC(C)C
• InChI: InChI=1S/C24H27N5O4S/c1-14(2)12-28-23-20(21(30)26(4)24(28)32)19(22(31)29-10-7-11-33-29)18(34-23)13-27-15(3)25-16-8-5-6-9-17(16)27/h5-6,8-9,14H,7,10-13H2,1-4H3
• InChIKey: LWSZZYYOWYWXMU-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 91.36 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.58
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]-1-(2-methylpropyl)-5-(1,2-oxazolidine-2-carbonyl)thieno[2,3-d]pyrimidine-2,4-dione?

The IUPAC name of 3-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]-1-(2-methylpropyl)-5-(1,2-oxazolidine-2-carbonyl)thieno[2,3-d]pyrimidine-2,4-dione (CID 142209695) is 3-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]-1-(2-methylpropyl)-5-(1,2-oxazolidine-2-carbonyl)thieno[2,3-d]pyrimidine-2,4-dione.

What is the SMILES notation for 3-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]-1-(2-methylpropyl)-5-(1,2-oxazolidine-2-carbonyl)thieno[2,3-d]pyrimidine-2,4-dione?

The canonical SMILES for 3-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]-1-(2-methylpropyl)-5-(1,2-oxazolidine-2-carbonyl)thieno[2,3-d]pyrimidine-2,4-dione is Cc1nc2ccccc2n1Cc1sc2c(c1C(=O)N1CCCO1)c(=O)n(C)c(=O)n2CC(C)C.

What is the InChIKey of 3-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]-1-(2-methylpropyl)-5-(1,2-oxazolidine-2-carbonyl)thieno[2,3-d]pyrimidine-2,4-dione?

The InChIKey is LWSZZYYOWYWXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4S/c1-14(2)12-28-23-20(21(30)26(4)24(28)32)19(22(31)29-10-7-11-33-29)18(34-23)13-27-15(3)25-16-8-5-6-9-17(16)27/h5-6,8-9,14H,7,10-13H2,1-4H3.

What are the key properties of 3-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]-1-(2-methylpropyl)-5-(1,2-oxazolidine-2-carbonyl)thieno[2,3-d]pyrimidine-2,4-dione?

3-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]-1-(2-methylpropyl)-5-(1,2-oxazolidine-2-carbonyl)thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 481.58 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]-1-(2-methylpropyl)-5-(1,2-oxazolidine-2-carbonyl)thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 142209695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).