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

C17H23N5O2S — CID 95842353

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

2-methoxy-1-[(2R)-2-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]ethanone (PubChem CID 95842353) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-methoxy-1-[(2R)-2-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-methoxy-1-[(2R)-2-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]ethanone
• PubChem CID: 95842353
• Molecular Formula: C17H23N5O2S
• Molecular Weight: 361.47 g/mol
• Exact Mass: 361.16
• IUPAC Name: 2-methoxy-1-[(2R)-2-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]ethanone
• SMILES: COCC(=O)N1CCCC[C@@H]1c1nc(C)cc(Nc2nc(C)cs2)n1
• InChI: InChI=1S/C17H23N5O2S/c1-11-8-14(21-17-19-12(2)10-25-17)20-16(18-11)13-6-4-5-7-22(13)15(23)9-24-3/h8,10,13H,4-7,9H2,1-3H3,(H,18,19,20,21)/t13-/m1/s1
• InChIKey: CSBUQLNKTDBFEV-CYBMUJFWSA-N
• XLogP: 2.99
• TPSA: 80.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.47
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-methoxy-1-[(2R)-2-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]ethanone (CID 95842353) is 2-methoxy-1-[(2R)-2-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]ethanone.

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

The canonical SMILES for 2-methoxy-1-[(2R)-2-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]ethanone is COCC(=O)N1CCCC[C@@H]1c1nc(C)cc(Nc2nc(C)cs2)n1.

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

The InChIKey is CSBUQLNKTDBFEV-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-11-8-14(21-17-19-12(2)10-25-17)20-16(18-11)13-6-4-5-7-22(13)15(23)9-24-3/h8,10,13H,4-7,9H2,1-3H3,(H,18,19,20,21)/t13-/m1/s1.

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

2-methoxy-1-[(2R)-2-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 361.47 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-1-[(2R)-2-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95842353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).