[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone

C22H20N8O2 — CID 122349180

About [4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone

[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone (PubChem CID 122349180) has the molecular formula C22H20N8O2 and a molecular weight of 428.46 g/mol. Its IUPAC name is [4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

• Compound Name: [4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
• PubChem CID: 122349180
• Molecular Formula: C22H20N8O2
• Molecular Weight: 428.46 g/mol
• Exact Mass: 428.17
• IUPAC Name: [4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
• SMILES: O=C(c1cc(-c2cccnc2)on1)N1CCN(c2cc(Nc3ccccn3)ncn2)CC1
• InChI: InChI=1S/C22H20N8O2/c31-22(17-12-18(32-28-17)16-4-3-6-23-14-16)30-10-8-29(9-11-30)21-13-20(25-15-26-21)27-19-5-1-2-7-24-19/h1-7,12-15H,8-11H2,(H,24,25,26,27)
• InChIKey: KPOZLBFLYRHNMV-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 113.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.46
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone?

The IUPAC name of [4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone (CID 122349180) is [4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone.

What is the SMILES notation for [4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone?

The canonical SMILES for [4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone is O=C(c1cc(-c2cccnc2)on1)N1CCN(c2cc(Nc3ccccn3)ncn2)CC1.

What is the InChIKey of [4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone?

The InChIKey is KPOZLBFLYRHNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N8O2/c31-22(17-12-18(32-28-17)16-4-3-6-23-14-16)30-10-8-29(9-11-30)21-13-20(25-15-26-21)27-19-5-1-2-7-24-19/h1-7,12-15H,8-11H2,(H,24,25,26,27).

What are the key properties of [4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone?

[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 428.46 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 122349180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).