2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]acetamide

C26H25FN6O5 — CID 10839694

About 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]acetamide

2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]acetamide (PubChem CID 10839694) has the molecular formula C26H25FN6O5 and a molecular weight of 520.52 g/mol. Its IUPAC name is 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]acetamide
• PubChem CID: 10839694
• Molecular Formula: C26H25FN6O5
• Molecular Weight: 520.52 g/mol
• Exact Mass: 520.19
• IUPAC Name: 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]acetamide
• SMILES: COc1ccc(-c2nnc(C(=O)[C@@H](NC(=O)Cn3c(-c4ccc(F)cc4)ncc(N)c3=O)C(C)C)o2)cc1
• InChI: InChI=1S/C26H25FN6O5/c1-14(2)21(22(35)25-32-31-24(38-25)16-6-10-18(37-3)11-7-16)30-20(34)13-33-23(29-12-19(28)26(33)36)15-4-8-17(27)9-5-15/h4-12,14,21H,13,28H2,1-3H3,(H,30,34)/t21-/m0/s1
• InChIKey: SJUJFSKKKYJEMF-NRFANRHFSA-N
• XLogP: 2.71
• TPSA: 155.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.52
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]acetamide?

The IUPAC name of 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]acetamide (CID 10839694) is 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]acetamide.

What is the SMILES notation for 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]acetamide?

The canonical SMILES for 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]acetamide is COc1ccc(-c2nnc(C(=O)[C@@H](NC(=O)Cn3c(-c4ccc(F)cc4)ncc(N)c3=O)C(C)C)o2)cc1.

What is the InChIKey of 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]acetamide?

The InChIKey is SJUJFSKKKYJEMF-NRFANRHFSA-N. The full InChI is InChI=1S/C26H25FN6O5/c1-14(2)21(22(35)25-32-31-24(38-25)16-6-10-18(37-3)11-7-16)30-20(34)13-33-23(29-12-19(28)26(33)36)15-4-8-17(27)9-5-15/h4-12,14,21H,13,28H2,1-3H3,(H,30,34)/t21-/m0/s1.

What are the key properties of 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]acetamide?

2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]acetamide has a molecular weight of 520.52 g/mol, XLogP of 2.71, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]acetamide is sourced from PubChem (CID 10839694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).