1-[3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone

C17H22N6O — CID 110252898

About 1-[3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone

1-[3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 110252898) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone
• PubChem CID: 110252898
• Molecular Formula: C17H22N6O
• Molecular Weight: 326.40 g/mol
• Exact Mass: 326.19
• IUPAC Name: 1-[3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone
• SMILES: CC(=O)N1CCCC(c2cncc(Nc3nc(C)cc(C)n3)n2)C1
• InChI: InChI=1S/C17H22N6O/c1-11-7-12(2)20-17(19-11)22-16-9-18-8-15(21-16)14-5-4-6-23(10-14)13(3)24/h7-9,14H,4-6,10H2,1-3H3,(H,19,20,21,22)
• InChIKey: KGMDQCAAPXWPCZ-UHFFFAOYSA-N
• XLogP: 2.35
• TPSA: 83.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	326.40
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone?

The IUPAC name of 1-[3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone (CID 110252898) is 1-[3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 1-[3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 1-[3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone is CC(=O)N1CCCC(c2cncc(Nc3nc(C)cc(C)n3)n2)C1.

What is the InChIKey of 1-[3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone?

The InChIKey is KGMDQCAAPXWPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-11-7-12(2)20-17(19-11)22-16-9-18-8-15(21-16)14-5-4-6-23(10-14)13(3)24/h7-9,14H,4-6,10H2,1-3H3,(H,19,20,21,22).

What are the key properties of 1-[3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone?

1-[3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 326.40 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110252898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).