2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-[(2S)-3-methyl-1-oxo-1-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butan-2-yl]acetamide

C28H30N6O4 — CID 10118557

About 2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-[(2S)-3-methyl-1-oxo-1-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butan-2-yl]acetamide

2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-[(2S)-3-methyl-1-oxo-1-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butan-2-yl]acetamide (PubChem CID 10118557) has the molecular formula C28H30N6O4 and a molecular weight of 514.59 g/mol. Its IUPAC name is 2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-[(2S)-3-methyl-1-oxo-1-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butan-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-[(2S)-3-methyl-1-oxo-1-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butan-2-yl]acetamide
• PubChem CID: 10118557
• Molecular Formula: C28H30N6O4
• Molecular Weight: 514.59 g/mol
• Exact Mass: 514.23
• IUPAC Name: 2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-[(2S)-3-methyl-1-oxo-1-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butan-2-yl]acetamide
• SMILES: CC(C)[C@H](NC(=O)Cn1c(-c2ccccc2)ncc(N)c1=O)C(=O)c1nnc(C(C)(C)c2ccccc2)o1
• InChI: InChI=1S/C28H30N6O4/c1-17(2)22(23(36)25-32-33-27(38-25)28(3,4)19-13-9-6-10-14-19)31-21(35)16-34-24(18-11-7-5-8-12-18)30-15-20(29)26(34)37/h5-15,17,22H,16,29H2,1-4H3,(H,31,35)/t22-/m0/s1
• InChIKey: JFDLACFTMCMKAZ-QFIPXVFZSA-N
• XLogP: 3.23
• TPSA: 146.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.59
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-[(2S)-3-methyl-1-oxo-1-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butan-2-yl]acetamide?

The IUPAC name of 2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-[(2S)-3-methyl-1-oxo-1-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butan-2-yl]acetamide (CID 10118557) is 2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-[(2S)-3-methyl-1-oxo-1-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butan-2-yl]acetamide.

What is the SMILES notation for 2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-[(2S)-3-methyl-1-oxo-1-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butan-2-yl]acetamide?

The canonical SMILES for 2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-[(2S)-3-methyl-1-oxo-1-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butan-2-yl]acetamide is CC(C)[C@H](NC(=O)Cn1c(-c2ccccc2)ncc(N)c1=O)C(=O)c1nnc(C(C)(C)c2ccccc2)o1.

What is the InChIKey of 2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-[(2S)-3-methyl-1-oxo-1-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butan-2-yl]acetamide?

The InChIKey is JFDLACFTMCMKAZ-QFIPXVFZSA-N. The full InChI is InChI=1S/C28H30N6O4/c1-17(2)22(23(36)25-32-33-27(38-25)28(3,4)19-13-9-6-10-14-19)31-21(35)16-34-24(18-11-7-5-8-12-18)30-15-20(29)26(34)37/h5-15,17,22H,16,29H2,1-4H3,(H,31,35)/t22-/m0/s1.

What are the key properties of 2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-[(2S)-3-methyl-1-oxo-1-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butan-2-yl]acetamide?

2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-[(2S)-3-methyl-1-oxo-1-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butan-2-yl]acetamide has a molecular weight of 514.59 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-[(2S)-3-methyl-1-oxo-1-[5-(2-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]butan-2-yl]acetamide is sourced from PubChem (CID 10118557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).