N-(2,5-difluorophenyl)-2-[(6-methyl-4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide

C15H12F2N4O2S — CID 135630793

About N-(2,5-difluorophenyl)-2-[(6-methyl-4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide

N-(2,5-difluorophenyl)-2-[(6-methyl-4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135630793) has the molecular formula C15H12F2N4O2S and a molecular weight of 350.35 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-[(6-methyl-4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(2,5-difluorophenyl)-2-[(6-methyl-4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
• PubChem CID: 135630793
• Molecular Formula: C15H12F2N4O2S
• Molecular Weight: 350.35 g/mol
• Exact Mass: 350.06
• IUPAC Name: N-(2,5-difluorophenyl)-2-[(6-methyl-4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
• SMILES: Cc1cc2nc(SCC(=O)Nc3cc(F)ccc3F)[nH]c(=O)c2[nH]1
• InChI: InChI=1S/C15H12F2N4O2S/c1-7-4-11-13(18-7)14(23)21-15(20-11)24-6-12(22)19-10-5-8(16)2-3-9(10)17/h2-5,18H,6H2,1H3,(H,19,22)(H,20,21,23)
• InChIKey: CLQUXGVVYYIAHP-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 90.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.35
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-[(6-methyl-4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide?

The IUPAC name of N-(2,5-difluorophenyl)-2-[(6-methyl-4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide (CID 135630793) is N-(2,5-difluorophenyl)-2-[(6-methyl-4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide.

What is the SMILES notation for N-(2,5-difluorophenyl)-2-[(6-methyl-4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide?

The canonical SMILES for N-(2,5-difluorophenyl)-2-[(6-methyl-4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide is Cc1cc2nc(SCC(=O)Nc3cc(F)ccc3F)[nH]c(=O)c2[nH]1.

What is the InChIKey of N-(2,5-difluorophenyl)-2-[(6-methyl-4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide?

The InChIKey is CLQUXGVVYYIAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4O2S/c1-7-4-11-13(18-7)14(23)21-15(20-11)24-6-12(22)19-10-5-8(16)2-3-9(10)17/h2-5,18H,6H2,1H3,(H,19,22)(H,20,21,23).

What are the key properties of N-(2,5-difluorophenyl)-2-[(6-methyl-4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide?

N-(2,5-difluorophenyl)-2-[(6-methyl-4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 350.35 g/mol, XLogP of 2.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,5-difluorophenyl)-2-[(6-methyl-4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135630793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).