(2,4-dimethylpyrimidin-5-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone

C17H22N6O — CID 124953053

About (2,4-dimethylpyrimidin-5-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone

(2,4-dimethylpyrimidin-5-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone (PubChem CID 124953053) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is (2,4-dimethylpyrimidin-5-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: (2,4-dimethylpyrimidin-5-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
• PubChem CID: 124953053
• Molecular Formula: C17H22N6O
• Molecular Weight: 326.40 g/mol
• Exact Mass: 326.19
• IUPAC Name: (2,4-dimethylpyrimidin-5-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
• SMILES: CNc1cc([C@@H]2CCCN2C(=O)c2cnc(C)nc2C)nc(C)n1
• InChI: InChI=1S/C17H22N6O/c1-10-13(9-19-11(2)20-10)17(24)23-7-5-6-15(23)14-8-16(18-4)22-12(3)21-14/h8-9,15H,5-7H2,1-4H3,(H,18,21,22)/t15-/m0/s1
• InChIKey: DSXCWXPAICFXDS-HNNXBMFYSA-N
• XLogP: 2.21
• 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	2.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpyrimidin-5-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone?

The IUPAC name of (2,4-dimethylpyrimidin-5-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone (CID 124953053) is (2,4-dimethylpyrimidin-5-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone.

What is the SMILES notation for (2,4-dimethylpyrimidin-5-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone?

The canonical SMILES for (2,4-dimethylpyrimidin-5-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone is CNc1cc([C@@H]2CCCN2C(=O)c2cnc(C)nc2C)nc(C)n1.

What is the InChIKey of (2,4-dimethylpyrimidin-5-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone?

The InChIKey is DSXCWXPAICFXDS-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-10-13(9-19-11(2)20-10)17(24)23-7-5-6-15(23)14-8-16(18-4)22-12(3)21-14/h8-9,15H,5-7H2,1-4H3,(H,18,21,22)/t15-/m0/s1.

What are the key properties of (2,4-dimethylpyrimidin-5-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone?

(2,4-dimethylpyrimidin-5-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone has a molecular weight of 326.40 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2,4-dimethylpyrimidin-5-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124953053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).