[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone

C24H24N6O2S — CID 122348479

About [4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone

[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone (PubChem CID 122348479) has the molecular formula C24H24N6O2S and a molecular weight of 460.56 g/mol. Its IUPAC name is [4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

• Compound Name: [4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
• PubChem CID: 122348479
• Molecular Formula: C24H24N6O2S
• Molecular Weight: 460.56 g/mol
• Exact Mass: 460.17
• IUPAC Name: [4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
• SMILES: Cc1ccc(Nc2nc(C)cc(N3CCN(C(=O)c4cc(-c5cccs5)on4)CC3)n2)cc1
• InChI: InChI=1S/C24H24N6O2S/c1-16-5-7-18(8-6-16)26-24-25-17(2)14-22(27-24)29-9-11-30(12-10-29)23(31)19-15-20(32-28-19)21-4-3-13-33-21/h3-8,13-15H,9-12H2,1-2H3,(H,25,26,27)
• InChIKey: JALAJASFINUPLW-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 87.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.56
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?

The IUPAC name of [4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone (CID 122348479) is [4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone.

What is the SMILES notation for [4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?

The canonical SMILES for [4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone is Cc1ccc(Nc2nc(C)cc(N3CCN(C(=O)c4cc(-c5cccs5)on4)CC3)n2)cc1.

What is the InChIKey of [4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?

The InChIKey is JALAJASFINUPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2S/c1-16-5-7-18(8-6-16)26-24-25-17(2)14-22(27-24)29-9-11-30(12-10-29)23(31)19-15-20(32-28-19)21-4-3-13-33-21/h3-8,13-15H,9-12H2,1-2H3,(H,25,26,27).

What are the key properties of [4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?

[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 460.56 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 122348479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).