1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)-1-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]urea

C17H25N5O3S — CID 135920669

About 1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)-1-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]urea

1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)-1-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]urea (PubChem CID 135920669) has the molecular formula C17H25N5O3S and a molecular weight of 379.49 g/mol. Its IUPAC name is 1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)-1-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]urea.

Molecular Properties

• Compound Name: 1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)-1-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]urea
• PubChem CID: 135920669
• Molecular Formula: C17H25N5O3S
• Molecular Weight: 379.49 g/mol
• Exact Mass: 379.17
• IUPAC Name: 1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)-1-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]urea
• SMILES: CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)NCC(C)(C)N1CCOCC1
• InChI: InChI=1S/C17H25N5O3S/c1-17(2,22-5-7-25-8-6-22)11-18-16(24)21(3)10-13-19-12-4-9-26-14(12)15(23)20-13/h4,9H,5-8,10-11H2,1-3H3,(H,18,24)(H,19,20,23)
• InChIKey: CRQDAIRVQXKFMZ-UHFFFAOYSA-N
• XLogP: 1.24
• TPSA: 90.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.49
LogP ≤ 5	1.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)-1-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]urea?

The IUPAC name of 1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)-1-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]urea (CID 135920669) is 1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)-1-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]urea.

What is the SMILES notation for 1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)-1-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]urea?

The canonical SMILES for 1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)-1-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]urea is CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)NCC(C)(C)N1CCOCC1.

What is the InChIKey of 1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)-1-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]urea?

The InChIKey is CRQDAIRVQXKFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3S/c1-17(2,22-5-7-25-8-6-22)11-18-16(24)21(3)10-13-19-12-4-9-26-14(12)15(23)20-13/h4,9H,5-8,10-11H2,1-3H3,(H,18,24)(H,19,20,23).

What are the key properties of 1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)-1-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]urea?

1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)-1-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]urea has a molecular weight of 379.49 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)-1-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]urea is sourced from PubChem (CID 135920669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).