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

C16H21N7O — CID 95842898

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

2-[(2S)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide (PubChem CID 95842898) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-[(2S)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(2S)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide
• PubChem CID: 95842898
• Molecular Formula: C16H21N7O
• Molecular Weight: 327.39 g/mol
• Exact Mass: 327.18
• IUPAC Name: 2-[(2S)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide
• SMILES: Cc1cc(C)nc(Nc2cncc([C@@H]3CCCN3CC(N)=O)n2)n1
• InChI: InChI=1S/C16H21N7O/c1-10-6-11(2)20-16(19-10)22-15-8-18-7-12(21-15)13-4-3-5-23(13)9-14(17)24/h6-8,13H,3-5,9H2,1-2H3,(H2,17,24)(H,19,20,21,22)/t13-/m0/s1
• InChIKey: PVMUIGCLPQLWSY-ZDUSSCGKSA-N
• XLogP: 1.25
• TPSA: 109.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• 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-[(2S)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide?

The IUPAC name of 2-[(2S)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide (CID 95842898) is 2-[(2S)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide.

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

The canonical SMILES for 2-[(2S)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide is Cc1cc(C)nc(Nc2cncc([C@@H]3CCCN3CC(N)=O)n2)n1.

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

The InChIKey is PVMUIGCLPQLWSY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N7O/c1-10-6-11(2)20-16(19-10)22-15-8-18-7-12(21-15)13-4-3-5-23(13)9-14(17)24/h6-8,13H,3-5,9H2,1-2H3,(H2,17,24)(H,19,20,21,22)/t13-/m0/s1.

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

2-[(2S)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide has a molecular weight of 327.39 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 95842898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).