2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone

C17H24N6O — CID 124973727

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone

2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone (PubChem CID 124973727) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
• PubChem CID: 124973727
• Molecular Formula: C17H24N6O
• Molecular Weight: 328.42 g/mol
• Exact Mass: 328.20
• IUPAC Name: 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
• SMILES: CNc1cc([C@H]2CCCN2C(=O)Cc2c(C)n[nH]c2C)nc(C)n1
• InChI: InChI=1S/C17H24N6O/c1-10-13(11(2)22-21-10)8-17(24)23-7-5-6-15(23)14-9-16(18-4)20-12(3)19-14/h9,15H,5-8H2,1-4H3,(H,21,22)(H,18,19,20)/t15-/m1/s1
• InChIKey: KMBBGDDZBDYMDW-OAHLLOKOSA-N
• XLogP: 2.07
• TPSA: 86.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.42
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?

The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone (CID 124973727) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone.

What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?

The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone is CNc1cc([C@H]2CCCN2C(=O)Cc2c(C)n[nH]c2C)nc(C)n1.

What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?

The InChIKey is KMBBGDDZBDYMDW-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N6O/c1-10-13(11(2)22-21-10)8-17(24)23-7-5-6-15(23)14-9-16(18-4)20-12(3)19-14/h9,15H,5-8H2,1-4H3,(H,21,22)(H,18,19,20)/t15-/m1/s1.

What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?

2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 328.42 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 124973727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).