[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone

C16H22N6OS — CID 110091329

About [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone

[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone (PubChem CID 110091329) has the molecular formula C16H22N6OS and a molecular weight of 346.46 g/mol. Its IUPAC name is [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone.

Molecular Properties

• Compound Name: [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone
• PubChem CID: 110091329
• Molecular Formula: C16H22N6OS
• Molecular Weight: 346.46 g/mol
• Exact Mass: 346.16
• IUPAC Name: [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone
• SMILES: CNc1cc(C2CCCN2C(=O)c2snnc2C(C)C)nc(C)n1
• InChI: InChI=1S/C16H22N6OS/c1-9(2)14-15(24-21-20-14)16(23)22-7-5-6-12(22)11-8-13(17-4)19-10(3)18-11/h8-9,12H,5-7H2,1-4H3,(H,17,18,19)
• InChIKey: KQJCNDBNEAUWPP-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 83.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.46
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone?

The IUPAC name of [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone (CID 110091329) is [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone.

What is the SMILES notation for [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone?

The canonical SMILES for [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone is CNc1cc(C2CCCN2C(=O)c2snnc2C(C)C)nc(C)n1.

What is the InChIKey of [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone?

The InChIKey is KQJCNDBNEAUWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6OS/c1-9(2)14-15(24-21-20-14)16(23)22-7-5-6-12(22)11-8-13(17-4)19-10(3)18-11/h8-9,12H,5-7H2,1-4H3,(H,17,18,19).

What are the key properties of [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone?

[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone has a molecular weight of 346.46 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone is sourced from PubChem (CID 110091329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).