Methyl 2-[2-[3-(2-methylindol-1-yl)propylamino]pyrimidin-4-yl]acetate

C₁₉H₂₂N₄O₂ — CID 167814068

About Methyl 2-[2-[3-(2-methylindol-1-yl)propylamino]pyrimidin-4-yl]acetate

Methyl 2-[2-[3-(2-methylindol-1-yl)propylamino]pyrimidin-4-yl]acetate (PubChem CID 167814068) has the molecular formula C₁₉H₂₂N₄O₂ and a molecular weight of 338.41 g/mol. Its IUPAC name is methyl 2-[2-[3-(2-methylindol-1-yl)propylamino]pyrimidin-4-yl]acetate.

Molecular Properties

• Compound Name: Methyl 2-[2-[3-(2-methylindol-1-yl)propylamino]pyrimidin-4-yl]acetate
• PubChem CID: 167814068
• Molecular Formula: C₁₉H₂₂N₄O₂
• Molecular Weight: 338.41 g/mol
• Exact Mass: 338.17
• IUPAC Name: methyl 2-[2-[3-(2-methylindol-1-yl)propylamino]pyrimidin-4-yl]acetate
• SMILES: COC(=O)Cc1ccnc(NCCCn2c(C)cc3ccccc32)n1
• InChI: InChI=1S/C19H22N4O2/c1-14-12-15-6-3-4-7-17(15)23(14)11-5-9-20-19-21-10-8-16(22-19)13-18(24)25-2/h3-4,6-8,10,12H,5,9,11,13H2,1-2H3,(H,20,21,22)
• InChIKey: FUXUKOFUCFOSMS-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.41
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Methyl 2-[2-[3-(2-methylindol-1-yl)propylamino]pyrimidin-4-yl]acetate?

The IUPAC name of Methyl 2-[2-[3-(2-methylindol-1-yl)propylamino]pyrimidin-4-yl]acetate (CID 167814068) is methyl 2-[2-[3-(2-methylindol-1-yl)propylamino]pyrimidin-4-yl]acetate.

What is the SMILES notation for Methyl 2-[2-[3-(2-methylindol-1-yl)propylamino]pyrimidin-4-yl]acetate?

The canonical SMILES for Methyl 2-[2-[3-(2-methylindol-1-yl)propylamino]pyrimidin-4-yl]acetate is COC(=O)Cc1ccnc(NCCCn2c(C)cc3ccccc32)n1.

What is the InChIKey of Methyl 2-[2-[3-(2-methylindol-1-yl)propylamino]pyrimidin-4-yl]acetate?

The InChIKey is FUXUKOFUCFOSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14-12-15-6-3-4-7-17(15)23(14)11-5-9-20-19-21-10-8-16(22-19)13-18(24)25-2/h3-4,6-8,10,12H,5,9,11,13H2,1-2H3,(H,20,21,22).

What are the key properties of Methyl 2-[2-[3-(2-methylindol-1-yl)propylamino]pyrimidin-4-yl]acetate?

Methyl 2-[2-[3-(2-methylindol-1-yl)propylamino]pyrimidin-4-yl]acetate has a molecular weight of 338.41 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl 2-[2-[3-(2-methylindol-1-yl)propylamino]pyrimidin-4-yl]acetate is sourced from PubChem (CID 167814068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 167814068 — identifiers, structure, computed properties (public domain)

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