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

C17H23N5OS — CID 110096032

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

2-methyl-1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 110096032) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-methyl-1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 2-methyl-1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
• PubChem CID: 110096032
• Molecular Formula: C17H23N5OS
• Molecular Weight: 345.47 g/mol
• Exact Mass: 345.16
• IUPAC Name: 2-methyl-1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
• SMILES: Cc1csc(Nc2cc(C3CCN(C(=O)C(C)C)C3)nc(C)n2)n1
• InChI: InChI=1S/C17H23N5OS/c1-10(2)16(23)22-6-5-13(8-22)14-7-15(20-12(4)19-14)21-17-18-11(3)9-24-17/h7,9-10,13H,5-6,8H2,1-4H3,(H,18,19,20,21)
• InChIKey: BKDWYHSDJQUHPP-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.47
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-methyl-1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one (CID 110096032) is 2-methyl-1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one.

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

The canonical SMILES for 2-methyl-1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one is Cc1csc(Nc2cc(C3CCN(C(=O)C(C)C)C3)nc(C)n2)n1.

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

The InChIKey is BKDWYHSDJQUHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-10(2)16(23)22-6-5-13(8-22)14-7-15(20-12(4)19-14)21-17-18-11(3)9-24-17/h7,9-10,13H,5-6,8H2,1-4H3,(H,18,19,20,21).

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

2-methyl-1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 345.47 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-1-[3-[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 110096032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).