[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone

C20H23N7O2 — CID 122350380

About [4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone

[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone (PubChem CID 122350380) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is [4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

• Compound Name: [4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
• PubChem CID: 122350380
• Molecular Formula: C20H23N7O2
• Molecular Weight: 393.45 g/mol
• Exact Mass: 393.19
• IUPAC Name: [4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
• SMILES: Cc1ccnc(Nc2cc(N3CCN(C(=O)c4cnoc4C)CC3)nc(C)n2)c1
• InChI: InChI=1S/C20H23N7O2/c1-13-4-5-21-17(10-13)25-18-11-19(24-15(3)23-18)26-6-8-27(9-7-26)20(28)16-12-22-29-14(16)2/h4-5,10-12H,6-9H2,1-3H3,(H,21,23,24,25)
• InChIKey: WKKQLCYOOGAFKK-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 100.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.45
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?

The IUPAC name of [4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone (CID 122350380) is [4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone.

What is the SMILES notation for [4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?

The canonical SMILES for [4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone is Cc1ccnc(Nc2cc(N3CCN(C(=O)c4cnoc4C)CC3)nc(C)n2)c1.

What is the InChIKey of [4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?

The InChIKey is WKKQLCYOOGAFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-13-4-5-21-17(10-13)25-18-11-19(24-15(3)23-18)26-6-8-27(9-7-26)20(28)16-12-22-29-14(16)2/h4-5,10-12H,6-9H2,1-3H3,(H,21,23,24,25).

What are the key properties of [4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?

[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone has a molecular weight of 393.45 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 122350380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).