5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine

C24H28N8O — CID 148761697

About 5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine

5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 148761697) has the molecular formula C24H28N8O and a molecular weight of 444.54 g/mol. Its IUPAC name is 5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
• PubChem CID: 148761697
• Molecular Formula: C24H28N8O
• Molecular Weight: 444.54 g/mol
• Exact Mass: 444.24
• IUPAC Name: 5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
• SMILES: CC(C)Cc1cnc(-c2nc([C@](C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)cn1
• InChI: InChI=1S/C24H28N8O/c1-14(2)8-18-12-28-20(13-26-18)21-31-22(32-33-21)24(5,15(3)4)17-6-7-19(27-11-17)16-9-29-23(25)30-10-16/h6-7,9-15H,8H2,1-5H3,(H2,25,29,30)/t24-/m0/s1
• InChIKey: OGRNYQFATNEVAI-DEOSSOPVSA-N
• XLogP: 4.12
• TPSA: 129.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.54
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?

The IUPAC name of 5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine (CID 148761697) is 5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine.

What is the SMILES notation for 5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?

The canonical SMILES for 5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine is CC(C)Cc1cnc(-c2nc([C@](C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)cn1.

What is the InChIKey of 5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?

The InChIKey is OGRNYQFATNEVAI-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H28N8O/c1-14(2)8-18-12-28-20(13-26-18)21-31-22(32-33-21)24(5,15(3)4)17-6-7-19(27-11-17)16-9-29-23(25)30-10-16/h6-7,9-15H,8H2,1-5H3,(H2,25,29,30)/t24-/m0/s1.

What are the key properties of 5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?

5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 444.54 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 148761697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).