1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone

C15H19N5OS — CID 110095429

About 1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone

1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone (PubChem CID 110095429) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is 1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
• PubChem CID: 110095429
• Molecular Formula: C15H19N5OS
• Molecular Weight: 317.42 g/mol
• Exact Mass: 317.13
• IUPAC Name: 1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
• SMILES: CC(=O)N1CCC(c2cc(Nc3nc(C)cs3)nc(C)n2)C1
• InChI: InChI=1S/C15H19N5OS/c1-9-8-22-15(16-9)19-14-6-13(17-10(2)18-14)12-4-5-20(7-12)11(3)21/h6,8,12H,4-5,7H2,1-3H3,(H,16,17,18,19)
• InChIKey: WAFSAEQQVKJOJQ-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	317.42
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?

The IUPAC name of 1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone (CID 110095429) is 1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone.

What is the SMILES notation for 1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?

The canonical SMILES for 1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC(c2cc(Nc3nc(C)cs3)nc(C)n2)C1.

What is the InChIKey of 1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?

The InChIKey is WAFSAEQQVKJOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-9-8-22-15(16-9)19-14-6-13(17-10(2)18-14)12-4-5-20(7-12)11(3)21/h6,8,12H,4-5,7H2,1-3H3,(H,16,17,18,19).

What are the key properties of 1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?

1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 317.42 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110095429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).