(3,3-dimethylcyclobutyl)-[3-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]methanone

C23H30N8O — CID 74762800

About (3,3-dimethylcyclobutyl)-[3-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]methanone

(3,3-dimethylcyclobutyl)-[3-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]methanone (PubChem CID 74762800) has the molecular formula C23H30N8O and a molecular weight of 434.55 g/mol. Its IUPAC name is (3,3-dimethylcyclobutyl)-[3-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: (3,3-dimethylcyclobutyl)-[3-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]methanone
• PubChem CID: 74762800
• Molecular Formula: C23H30N8O
• Molecular Weight: 434.55 g/mol
• Exact Mass: 434.25
• IUPAC Name: (3,3-dimethylcyclobutyl)-[3-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]methanone
• SMILES: CCn1c(-c2cnc(C)nc2)nc2c(NC3CCN(C(=O)C4CC(C)(C)C4)C3)ncnc21
• InChI: InChI=1S/C23H30N8O/c1-5-31-20(16-10-24-14(2)25-11-16)29-18-19(26-13-27-21(18)31)28-17-6-7-30(12-17)22(32)15-8-23(3,4)9-15/h10-11,13,15,17H,5-9,12H2,1-4H3,(H,26,27,28)
• InChIKey: FWCRMXKECHNNMI-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 101.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.55
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylcyclobutyl)-[3-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]methanone?

The IUPAC name of (3,3-dimethylcyclobutyl)-[3-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]methanone (CID 74762800) is (3,3-dimethylcyclobutyl)-[3-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]methanone.

What is the SMILES notation for (3,3-dimethylcyclobutyl)-[3-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]methanone?

The canonical SMILES for (3,3-dimethylcyclobutyl)-[3-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]methanone is CCn1c(-c2cnc(C)nc2)nc2c(NC3CCN(C(=O)C4CC(C)(C)C4)C3)ncnc21.

What is the InChIKey of (3,3-dimethylcyclobutyl)-[3-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]methanone?

The InChIKey is FWCRMXKECHNNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N8O/c1-5-31-20(16-10-24-14(2)25-11-16)29-18-19(26-13-27-21(18)31)28-17-6-7-30(12-17)22(32)15-8-23(3,4)9-15/h10-11,13,15,17H,5-9,12H2,1-4H3,(H,26,27,28).

What are the key properties of (3,3-dimethylcyclobutyl)-[3-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]methanone?

(3,3-dimethylcyclobutyl)-[3-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]methanone has a molecular weight of 434.55 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3,3-dimethylcyclobutyl)-[3-[[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]amino]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 74762800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).