6-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-9-(2-methoxyethyl)purine

C₁₈H₂₄N₈O — CID 155798891

About 6-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-9-(2-methoxyethyl)purine

6-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-9-(2-methoxyethyl)purine (PubChem CID 155798891) has the molecular formula C₁₈H₂₄N₈O and a molecular weight of 368.45 g/mol. Its IUPAC name is 6-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-9-(2-methoxyethyl)purine.

Molecular Properties

• Compound Name: 6-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-9-(2-methoxyethyl)purine
• PubChem CID: 155798891
• Molecular Formula: C₁₈H₂₄N₈O
• Molecular Weight: 368.45 g/mol
• Exact Mass: 368.21
• IUPAC Name: 6-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-9-(2-methoxyethyl)purine
• SMILES: COCCn1cnc2c(N3CCN(c4ncnc(C)c4C)CC3)ncnc21
• InChI: InChI=1S/C18H24N8O/c1-13-14(2)19-10-20-16(13)24-4-6-25(7-5-24)17-15-18(22-11-21-17)26(12-23-15)8-9-27-3/h10-12H,4-9H2,1-3H3
• InChIKey: OLPKNZONCCDECC-UHFFFAOYSA-N
• XLogP: 1.21
• TPSA: 85.09 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.45
LogP ≤ 5	1.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-9-(2-methoxyethyl)purine?

The IUPAC name of 6-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-9-(2-methoxyethyl)purine (CID 155798891) is 6-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-9-(2-methoxyethyl)purine.

What is the SMILES notation for 6-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-9-(2-methoxyethyl)purine?

The canonical SMILES for 6-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-9-(2-methoxyethyl)purine is COCCn1cnc2c(N3CCN(c4ncnc(C)c4C)CC3)ncnc21.

What is the InChIKey of 6-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-9-(2-methoxyethyl)purine?

The InChIKey is OLPKNZONCCDECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8O/c1-13-14(2)19-10-20-16(13)24-4-6-25(7-5-24)17-15-18(22-11-21-17)26(12-23-15)8-9-27-3/h10-12H,4-9H2,1-3H3.

What are the key properties of 6-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-9-(2-methoxyethyl)purine?

6-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-9-(2-methoxyethyl)purine has a molecular weight of 368.45 g/mol, XLogP of 1.21, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-9-(2-methoxyethyl)purine is sourced from PubChem (CID 155798891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155798891 — identifiers, structure, computed properties (public domain)

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