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

C26H28N4O4S — CID 142209677

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

3-methyl-1-(2-methylpropyl)-6-[(2-methylquinolin-4-yl)methyl]-5-(1,2-oxazolidine-2-carbonyl)thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 142209677) has the molecular formula C26H28N4O4S and a molecular weight of 492.60 g/mol. Its IUPAC name is 3-methyl-1-(2-methylpropyl)-6-[(2-methylquinolin-4-yl)methyl]-5-(1,2-oxazolidine-2-carbonyl)thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 3-methyl-1-(2-methylpropyl)-6-[(2-methylquinolin-4-yl)methyl]-5-(1,2-oxazolidine-2-carbonyl)thieno[2,3-d]pyrimidine-2,4-dione
• PubChem CID: 142209677
• Molecular Formula: C26H28N4O4S
• Molecular Weight: 492.60 g/mol
• Exact Mass: 492.18
• IUPAC Name: 3-methyl-1-(2-methylpropyl)-6-[(2-methylquinolin-4-yl)methyl]-5-(1,2-oxazolidine-2-carbonyl)thieno[2,3-d]pyrimidine-2,4-dione
• SMILES: Cc1cc(Cc2sc3c(c2C(=O)N2CCCO2)c(=O)n(C)c(=O)n3CC(C)C)c2ccccc2n1
• InChI: InChI=1S/C26H28N4O4S/c1-15(2)14-29-25-22(23(31)28(4)26(29)33)21(24(32)30-10-7-11-34-30)20(35-25)13-17-12-16(3)27-19-9-6-5-8-18(17)19/h5-6,8-9,12,15H,7,10-11,13-14H2,1-4H3
• InChIKey: SASDJDCXSZSTEL-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 86.43 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.60
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-methyl-1-(2-methylpropyl)-6-[(2-methylquinolin-4-yl)methyl]-5-(1,2-oxazolidine-2-carbonyl)thieno[2,3-d]pyrimidine-2,4-dione (CID 142209677) is 3-methyl-1-(2-methylpropyl)-6-[(2-methylquinolin-4-yl)methyl]-5-(1,2-oxazolidine-2-carbonyl)thieno[2,3-d]pyrimidine-2,4-dione.

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

The canonical SMILES for 3-methyl-1-(2-methylpropyl)-6-[(2-methylquinolin-4-yl)methyl]-5-(1,2-oxazolidine-2-carbonyl)thieno[2,3-d]pyrimidine-2,4-dione is Cc1cc(Cc2sc3c(c2C(=O)N2CCCO2)c(=O)n(C)c(=O)n3CC(C)C)c2ccccc2n1.

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

The InChIKey is SASDJDCXSZSTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4S/c1-15(2)14-29-25-22(23(31)28(4)26(29)33)21(24(32)30-10-7-11-34-30)20(35-25)13-17-12-16(3)27-19-9-6-5-8-18(17)19/h5-6,8-9,12,15H,7,10-11,13-14H2,1-4H3.

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

3-methyl-1-(2-methylpropyl)-6-[(2-methylquinolin-4-yl)methyl]-5-(1,2-oxazolidine-2-carbonyl)thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 492.60 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-1-(2-methylpropyl)-6-[(2-methylquinolin-4-yl)methyl]-5-(1,2-oxazolidine-2-carbonyl)thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 142209677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).