[(2R)-2-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone

C19H26N6OS — CID 95821699

About [(2R)-2-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone

[(2R)-2-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone (PubChem CID 95821699) has the molecular formula C19H26N6OS and a molecular weight of 386.53 g/mol. Its IUPAC name is [(2R)-2-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone.

Molecular Properties

• Compound Name: [(2R)-2-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
• PubChem CID: 95821699
• Molecular Formula: C19H26N6OS
• Molecular Weight: 386.53 g/mol
• Exact Mass: 386.19
• IUPAC Name: [(2R)-2-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
• SMILES: Cc1nc(Nc2ncc(C)s2)cc([C@H]2CCCN2C(=O)[C@H]2CCCCN2)n1
• InChI: InChI=1S/C19H26N6OS/c1-12-11-21-19(27-12)24-17-10-15(22-13(2)23-17)16-7-5-9-25(16)18(26)14-6-3-4-8-20-14/h10-11,14,16,20H,3-9H2,1-2H3,(H,21,22,23,24)/t14-,16-/m1/s1
• InChIKey: RNNGWQVBVWZTKH-GDBMZVCRSA-N
• XLogP: 3.10
• TPSA: 83.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.53
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone?

The IUPAC name of [(2R)-2-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone (CID 95821699) is [(2R)-2-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone.

What is the SMILES notation for [(2R)-2-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone?

The canonical SMILES for [(2R)-2-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone is Cc1nc(Nc2ncc(C)s2)cc([C@H]2CCCN2C(=O)[C@H]2CCCCN2)n1.

What is the InChIKey of [(2R)-2-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone?

The InChIKey is RNNGWQVBVWZTKH-GDBMZVCRSA-N. The full InChI is InChI=1S/C19H26N6OS/c1-12-11-21-19(27-12)24-17-10-15(22-13(2)23-17)16-7-5-9-25(16)18(26)14-6-3-4-8-20-14/h10-11,14,16,20H,3-9H2,1-2H3,(H,21,22,23,24)/t14-,16-/m1/s1.

What are the key properties of [(2R)-2-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone?

[(2R)-2-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone has a molecular weight of 386.53 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-2-[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone is sourced from PubChem (CID 95821699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).