3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1,2-dihydroindole

C₁₅H₁₇N₃ — CID 154002561

About 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1,2-dihydroindole

3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1,2-dihydroindole (PubChem CID 154002561) has the molecular formula C₁₅H₁₇N₃ and a molecular weight of 239.32 g/mol. Its IUPAC name is 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1,2-dihydroindole.

Molecular Properties

• Compound Name: 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1,2-dihydroindole
• PubChem CID: 154002561
• Molecular Formula: C₁₅H₁₇N₃
• Molecular Weight: 239.32 g/mol
• Exact Mass: 239.14
• IUPAC Name: 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1,2-dihydroindole
• SMILES: Cc1ncc(-c2ccc3c(c2)NCC3(C)C)cn1
• InChI: InChI=1S/C15H17N3/c1-10-16-7-12(8-17-10)11-4-5-13-14(6-11)18-9-15(13,2)3/h4-8,18H,9H2,1-3H3
• InChIKey: SBZPMGVWNQHDFR-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 37.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	239.32
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1,2-dihydroindole?

The IUPAC name of 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1,2-dihydroindole (CID 154002561) is 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1,2-dihydroindole.

What is the SMILES notation for 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1,2-dihydroindole?

The canonical SMILES for 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1,2-dihydroindole is Cc1ncc(-c2ccc3c(c2)NCC3(C)C)cn1.

What is the InChIKey of 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1,2-dihydroindole?

The InChIKey is SBZPMGVWNQHDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-10-16-7-12(8-17-10)11-4-5-13-14(6-11)18-9-15(13,2)3/h4-8,18H,9H2,1-3H3.

What are the key properties of 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1,2-dihydroindole?

3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1,2-dihydroindole has a molecular weight of 239.32 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-1,2-dihydroindole is sourced from PubChem (CID 154002561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154002561 — identifiers, structure, computed properties (public domain)

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