1-[(2S)-2-[2-methyl-6-[(4-methylthiadiazol-5-yl)methylamino]pyrimidin-4-yl]morpholin-4-yl]ethanone

C15H20N6O2S — CID 95847719

About 1-[(2S)-2-[2-methyl-6-[(4-methylthiadiazol-5-yl)methylamino]pyrimidin-4-yl]morpholin-4-yl]ethanone

1-[(2S)-2-[2-methyl-6-[(4-methylthiadiazol-5-yl)methylamino]pyrimidin-4-yl]morpholin-4-yl]ethanone (PubChem CID 95847719) has the molecular formula C15H20N6O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 1-[(2S)-2-[2-methyl-6-[(4-methylthiadiazol-5-yl)methylamino]pyrimidin-4-yl]morpholin-4-yl]ethanone.

Molecular Properties

• Compound Name: 1-[(2S)-2-[2-methyl-6-[(4-methylthiadiazol-5-yl)methylamino]pyrimidin-4-yl]morpholin-4-yl]ethanone
• PubChem CID: 95847719
• Molecular Formula: C15H20N6O2S
• Molecular Weight: 348.43 g/mol
• Exact Mass: 348.14
• IUPAC Name: 1-[(2S)-2-[2-methyl-6-[(4-methylthiadiazol-5-yl)methylamino]pyrimidin-4-yl]morpholin-4-yl]ethanone
• SMILES: CC(=O)N1CCO[C@H](c2cc(NCc3snnc3C)nc(C)n2)C1
• InChI: InChI=1S/C15H20N6O2S/c1-9-14(24-20-19-9)7-16-15-6-12(17-10(2)18-15)13-8-21(11(3)22)4-5-23-13/h6,13H,4-5,7-8H2,1-3H3,(H,16,17,18)/t13-/m0/s1
• InChIKey: QFYHEUIYFSYIFE-ZDUSSCGKSA-N
• XLogP: 1.48
• TPSA: 93.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.43
LogP ≤ 5	1.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[2-methyl-6-[(4-methylthiadiazol-5-yl)methylamino]pyrimidin-4-yl]morpholin-4-yl]ethanone?

The IUPAC name of 1-[(2S)-2-[2-methyl-6-[(4-methylthiadiazol-5-yl)methylamino]pyrimidin-4-yl]morpholin-4-yl]ethanone (CID 95847719) is 1-[(2S)-2-[2-methyl-6-[(4-methylthiadiazol-5-yl)methylamino]pyrimidin-4-yl]morpholin-4-yl]ethanone.

What is the SMILES notation for 1-[(2S)-2-[2-methyl-6-[(4-methylthiadiazol-5-yl)methylamino]pyrimidin-4-yl]morpholin-4-yl]ethanone?

The canonical SMILES for 1-[(2S)-2-[2-methyl-6-[(4-methylthiadiazol-5-yl)methylamino]pyrimidin-4-yl]morpholin-4-yl]ethanone is CC(=O)N1CCO[C@H](c2cc(NCc3snnc3C)nc(C)n2)C1.

What is the InChIKey of 1-[(2S)-2-[2-methyl-6-[(4-methylthiadiazol-5-yl)methylamino]pyrimidin-4-yl]morpholin-4-yl]ethanone?

The InChIKey is QFYHEUIYFSYIFE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N6O2S/c1-9-14(24-20-19-9)7-16-15-6-12(17-10(2)18-15)13-8-21(11(3)22)4-5-23-13/h6,13H,4-5,7-8H2,1-3H3,(H,16,17,18)/t13-/m0/s1.

What are the key properties of 1-[(2S)-2-[2-methyl-6-[(4-methylthiadiazol-5-yl)methylamino]pyrimidin-4-yl]morpholin-4-yl]ethanone?

1-[(2S)-2-[2-methyl-6-[(4-methylthiadiazol-5-yl)methylamino]pyrimidin-4-yl]morpholin-4-yl]ethanone has a molecular weight of 348.43 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-2-[2-methyl-6-[(4-methylthiadiazol-5-yl)methylamino]pyrimidin-4-yl]morpholin-4-yl]ethanone is sourced from PubChem (CID 95847719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).