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

C15H19N5O2S — CID 155985337

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

2-methoxy-1-[3-[4-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 155985337) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is 2-methoxy-1-[3-[4-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-methoxy-1-[3-[4-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
• PubChem CID: 155985337
• Molecular Formula: C15H19N5O2S
• Molecular Weight: 333.42 g/mol
• Exact Mass: 333.13
• IUPAC Name: 2-methoxy-1-[3-[4-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
• SMILES: COCC(=O)N1CCC(c2nc(C)cc(Nc3nccs3)n2)C1
• InChI: InChI=1S/C15H19N5O2S/c1-10-7-12(19-15-16-4-6-23-15)18-14(17-10)11-3-5-20(8-11)13(21)9-22-2/h4,6-7,11H,3,5,8-9H2,1-2H3,(H,16,17,18,19)
• InChIKey: ADBPNGGBVNHRKN-UHFFFAOYSA-N
• XLogP: 1.95
• TPSA: 80.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.42
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-methoxy-1-[3-[4-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone (CID 155985337) is 2-methoxy-1-[3-[4-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone.

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

The canonical SMILES for 2-methoxy-1-[3-[4-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone is COCC(=O)N1CCC(c2nc(C)cc(Nc3nccs3)n2)C1.

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

The InChIKey is ADBPNGGBVNHRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-10-7-12(19-15-16-4-6-23-15)18-14(17-10)11-3-5-20(8-11)13(21)9-22-2/h4,6-7,11H,3,5,8-9H2,1-2H3,(H,16,17,18,19).

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

2-methoxy-1-[3-[4-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 333.42 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-1-[3-[4-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 155985337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).