3-(2,4-dioxopyrimidin-1-yl)-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide

C16H17N5O4S — CID 90508318

About 3-(2,4-dioxopyrimidin-1-yl)-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide

3-(2,4-dioxopyrimidin-1-yl)-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide (PubChem CID 90508318) has the molecular formula C16H17N5O4S and a molecular weight of 375.41 g/mol. Its IUPAC name is 3-(2,4-dioxopyrimidin-1-yl)-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide.

Molecular Properties

• Compound Name: 3-(2,4-dioxopyrimidin-1-yl)-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide
• PubChem CID: 90508318
• Molecular Formula: C16H17N5O4S
• Molecular Weight: 375.41 g/mol
• Exact Mass: 375.10
• IUPAC Name: 3-(2,4-dioxopyrimidin-1-yl)-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide
• SMILES: Cc1cc(=O)n2c(CCNC(=O)CCn3ccc(=O)[nH]c3=O)csc2n1
• InChI: InChI=1S/C16H17N5O4S/c1-10-8-14(24)21-11(9-26-16(21)18-10)2-5-17-12(22)3-6-20-7-4-13(23)19-15(20)25/h4,7-9H,2-3,5-6H2,1H3,(H,17,22)(H,19,23,25)
• InChIKey: PVLLWKPIXKRDDN-UHFFFAOYSA-N
• XLogP: -0.34
• TPSA: 118.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.41
LogP ≤ 5	-0.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide?

The IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide (CID 90508318) is 3-(2,4-dioxopyrimidin-1-yl)-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide.

What is the SMILES notation for 3-(2,4-dioxopyrimidin-1-yl)-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide?

The canonical SMILES for 3-(2,4-dioxopyrimidin-1-yl)-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide is Cc1cc(=O)n2c(CCNC(=O)CCn3ccc(=O)[nH]c3=O)csc2n1.

What is the InChIKey of 3-(2,4-dioxopyrimidin-1-yl)-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide?

The InChIKey is PVLLWKPIXKRDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O4S/c1-10-8-14(24)21-11(9-26-16(21)18-10)2-5-17-12(22)3-6-20-7-4-13(23)19-15(20)25/h4,7-9H,2-3,5-6H2,1H3,(H,17,22)(H,19,23,25).

What are the key properties of 3-(2,4-dioxopyrimidin-1-yl)-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide?

3-(2,4-dioxopyrimidin-1-yl)-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide has a molecular weight of 375.41 g/mol, XLogP of -0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,4-dioxopyrimidin-1-yl)-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide is sourced from PubChem (CID 90508318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).