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

C21H24N6OS — CID 122346460

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

[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 122346460) has the molecular formula C21H24N6OS and a molecular weight of 408.53 g/mol. Its IUPAC name is [4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

• Compound Name: [4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
• PubChem CID: 122346460
• Molecular Formula: C21H24N6OS
• Molecular Weight: 408.53 g/mol
• Exact Mass: 408.17
• IUPAC Name: [4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
• SMILES: Cc1ccc(Nc2cc(C)nc(N3CCN(C(=O)c4scnc4C)CC3)n2)cc1
• InChI: InChI=1S/C21H24N6OS/c1-14-4-6-17(7-5-14)24-18-12-15(2)23-21(25-18)27-10-8-26(9-11-27)20(28)19-16(3)22-13-29-19/h4-7,12-13H,8-11H2,1-3H3,(H,23,24,25)
• InChIKey: WHMCWHUUFRFMDA-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 74.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.53
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (CID 122346460) is [4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.

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

The canonical SMILES for [4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is Cc1ccc(Nc2cc(C)nc(N3CCN(C(=O)c4scnc4C)CC3)n2)cc1.

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

The InChIKey is WHMCWHUUFRFMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6OS/c1-14-4-6-17(7-5-14)24-18-12-15(2)23-21(25-18)27-10-8-26(9-11-27)20(28)19-16(3)22-13-29-19/h4-7,12-13H,8-11H2,1-3H3,(H,23,24,25).

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

[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 408.53 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 122346460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).