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

C16H21N7O — CID 110269783

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

2-amino-1-[2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 110269783) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-amino-1-[2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-amino-1-[2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
• PubChem CID: 110269783
• Molecular Formula: C16H21N7O
• Molecular Weight: 327.39 g/mol
• Exact Mass: 327.18
• IUPAC Name: 2-amino-1-[2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
• SMILES: Cc1cc(C)nc(Nc2cncc(C3CCCN3C(=O)CN)n2)n1
• InChI: InChI=1S/C16H21N7O/c1-10-6-11(2)20-16(19-10)22-14-9-18-8-12(21-14)13-4-3-5-23(13)15(24)7-17/h6,8-9,13H,3-5,7,17H2,1-2H3,(H,19,20,21,22)
• InChIKey: FKVFRWUEKIWQGN-UHFFFAOYSA-N
• XLogP: 1.25
• TPSA: 109.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.39
LogP ≤ 5	1.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-amino-1-[2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone (CID 110269783) is 2-amino-1-[2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone.

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

The canonical SMILES for 2-amino-1-[2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone is Cc1cc(C)nc(Nc2cncc(C3CCCN3C(=O)CN)n2)n1.

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

The InChIKey is FKVFRWUEKIWQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O/c1-10-6-11(2)20-16(19-10)22-14-9-18-8-12(21-14)13-4-3-5-23(13)15(24)7-17/h6,8-9,13H,3-5,7,17H2,1-2H3,(H,19,20,21,22).

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

2-amino-1-[2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 327.39 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-1-[2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110269783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).