[(3R)-3-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone

C18H19N7OS — CID 125008719

About [(3R)-3-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone

[(3R)-3-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 125008719) has the molecular formula C18H19N7OS and a molecular weight of 381.47 g/mol. Its IUPAC name is [(3R)-3-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

• Compound Name: [(3R)-3-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
• PubChem CID: 125008719
• Molecular Formula: C18H19N7OS
• Molecular Weight: 381.47 g/mol
• Exact Mass: 381.14
• IUPAC Name: [(3R)-3-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
• SMILES: Cc1cc(Nc2nc(C)cs2)nc([C@@H]2CCN(C(=O)c3cnccn3)C2)n1
• InChI: InChI=1S/C18H19N7OS/c1-11-7-15(24-18-22-12(2)10-27-18)23-16(21-11)13-3-6-25(9-13)17(26)14-8-19-4-5-20-14/h4-5,7-8,10,13H,3,6,9H2,1-2H3,(H,21,22,23,24)/t13-/m1/s1
• InChIKey: UXEKDCYIGOFXFI-CYBMUJFWSA-N
• XLogP: 2.71
• TPSA: 96.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.47
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of [(3R)-3-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone (CID 125008719) is [(3R)-3-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone.

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

The canonical SMILES for [(3R)-3-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone is Cc1cc(Nc2nc(C)cs2)nc([C@@H]2CCN(C(=O)c3cnccn3)C2)n1.

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

The InChIKey is UXEKDCYIGOFXFI-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19N7OS/c1-11-7-15(24-18-22-12(2)10-27-18)23-16(21-11)13-3-6-25(9-13)17(26)14-8-19-4-5-20-14/h4-5,7-8,10,13H,3,6,9H2,1-2H3,(H,21,22,23,24)/t13-/m1/s1.

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

[(3R)-3-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 381.47 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-3-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 125008719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).