4-[2-[(2S)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one

C15H20N4O2S — CID 137052897

About 4-[2-[(2S)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one

4-[2-[(2S)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one (PubChem CID 137052897) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 4-[2-[(2S)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one.

Molecular Properties

• Compound Name: 4-[2-[(2S)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
• PubChem CID: 137052897
• Molecular Formula: C15H20N4O2S
• Molecular Weight: 320.42 g/mol
• Exact Mass: 320.13
• IUPAC Name: 4-[2-[(2S)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
• SMILES: Cc1ncsc1CN1CCO[C@@H](CCc2cc(=O)[nH]cn2)C1
• InChI: InChI=1S/C15H20N4O2S/c1-11-14(22-10-18-11)8-19-4-5-21-13(7-19)3-2-12-6-15(20)17-9-16-12/h6,9-10,13H,2-5,7-8H2,1H3,(H,16,17,20)/t13-/m0/s1
• InChIKey: NITJEPQCLCWYLO-ZDUSSCGKSA-N
• XLogP: 1.37
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	320.42
LogP ≤ 5	1.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2S)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?

The IUPAC name of 4-[2-[(2S)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one (CID 137052897) is 4-[2-[(2S)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one.

What is the SMILES notation for 4-[2-[(2S)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?

The canonical SMILES for 4-[2-[(2S)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one is Cc1ncsc1CN1CCO[C@@H](CCc2cc(=O)[nH]cn2)C1.

What is the InChIKey of 4-[2-[(2S)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?

The InChIKey is NITJEPQCLCWYLO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-11-14(22-10-18-11)8-19-4-5-21-13(7-19)3-2-12-6-15(20)17-9-16-12/h6,9-10,13H,2-5,7-8H2,1H3,(H,16,17,20)/t13-/m0/s1.

What are the key properties of 4-[2-[(2S)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?

4-[2-[(2S)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one has a molecular weight of 320.42 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[(2S)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137052897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).