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

C16H20N6O2 — CID 95836277

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

1-[(2R)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]-2-hydroxyethanone (PubChem CID 95836277) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 1-[(2R)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]-2-hydroxyethanone.

Molecular Properties

• Compound Name: 1-[(2R)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]-2-hydroxyethanone
• PubChem CID: 95836277
• Molecular Formula: C16H20N6O2
• Molecular Weight: 328.38 g/mol
• Exact Mass: 328.16
• IUPAC Name: 1-[(2R)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]-2-hydroxyethanone
• SMILES: Cc1cc(C)nc(Nc2cncc([C@H]3CCCN3C(=O)CO)n2)n1
• InChI: InChI=1S/C16H20N6O2/c1-10-6-11(2)19-16(18-10)21-14-8-17-7-12(20-14)13-4-3-5-22(13)15(24)9-23/h6-8,13,23H,3-5,9H2,1-2H3,(H,18,19,20,21)/t13-/m1/s1
• InChIKey: CSHGLNWELVZFEP-CYBMUJFWSA-N
• XLogP: 1.28
• TPSA: 104.13 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	328.38
LogP ≤ 5	1.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[(2R)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]-2-hydroxyethanone (CID 95836277) is 1-[(2R)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]-2-hydroxyethanone.

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

The canonical SMILES for 1-[(2R)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]-2-hydroxyethanone is Cc1cc(C)nc(Nc2cncc([C@H]3CCCN3C(=O)CO)n2)n1.

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

The InChIKey is CSHGLNWELVZFEP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-10-6-11(2)19-16(18-10)21-14-8-17-7-12(20-14)13-4-3-5-22(13)15(24)9-23/h6-8,13,23H,3-5,9H2,1-2H3,(H,18,19,20,21)/t13-/m1/s1.

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

1-[(2R)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]-2-hydroxyethanone has a molecular weight of 328.38 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]-2-hydroxyethanone is sourced from PubChem (CID 95836277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).