[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone

C22H26N6O2 — CID 110218191

About [2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone

[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone (PubChem CID 110218191) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is [2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

• Compound Name: [2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
• PubChem CID: 110218191
• Molecular Formula: C22H26N6O2
• Molecular Weight: 406.49 g/mol
• Exact Mass: 406.21
• IUPAC Name: [2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
• SMILES: CCCc1cc(C(=O)N2CCCC2c2nc(N(C)C)ncc2-c2ccncc2)no1
• InChI: InChI=1S/C22H26N6O2/c1-4-6-16-13-18(26-30-16)21(29)28-12-5-7-19(28)20-17(15-8-10-23-11-9-15)14-24-22(25-20)27(2)3/h8-11,13-14,19H,4-7,12H2,1-3H3
• InChIKey: GVNJUKPAIZFSLR-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 88.25 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.49
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?

The IUPAC name of [2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone (CID 110218191) is [2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone.

What is the SMILES notation for [2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?

The canonical SMILES for [2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone is CCCc1cc(C(=O)N2CCCC2c2nc(N(C)C)ncc2-c2ccncc2)no1.

What is the InChIKey of [2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?

The InChIKey is GVNJUKPAIZFSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-4-6-16-13-18(26-30-16)21(29)28-12-5-7-19(28)20-17(15-8-10-23-11-9-15)14-24-22(25-20)27(2)3/h8-11,13-14,19H,4-7,12H2,1-3H3.

What are the key properties of [2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone?

[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone has a molecular weight of 406.49 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 110218191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).