9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]purin-2-amine

C₁₁H₁₅N₅O₂ — CID 158400483

About 9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]purin-2-amine

9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]purin-2-amine (PubChem CID 158400483) has the molecular formula C₁₁H₁₅N₅O₂ and a molecular weight of 249.27 g/mol. Its IUPAC name is 9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]purin-2-amine.

Molecular Properties

• Compound Name: 9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]purin-2-amine
• PubChem CID: 158400483
• Molecular Formula: C₁₁H₁₅N₅O₂
• Molecular Weight: 249.27 g/mol
• Exact Mass: 249.12
• IUPAC Name: 9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]purin-2-amine
• SMILES: CC1(C)OC[C@H](Cn2cnc3cnc(N)nc32)O1
• InChI: InChI=1S/C11H15N5O2/c1-11(2)17-5-7(18-11)4-16-6-14-8-3-13-10(12)15-9(8)16/h3,6-7H,4-5H2,1-2H3,(H2,12,13,15)/t7-/m0/s1
• InChIKey: BDXAFANEZDPOPY-ZETCQYMHSA-N
• XLogP: 0.56
• TPSA: 88.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	249.27
LogP ≤ 5	0.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]purin-2-amine?

The IUPAC name of 9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]purin-2-amine (CID 158400483) is 9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]purin-2-amine.

What is the SMILES notation for 9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]purin-2-amine?

The canonical SMILES for 9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]purin-2-amine is CC1(C)OC[C@H](Cn2cnc3cnc(N)nc32)O1.

What is the InChIKey of 9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]purin-2-amine?

The InChIKey is BDXAFANEZDPOPY-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-11(2)17-5-7(18-11)4-16-6-14-8-3-13-10(12)15-9(8)16/h3,6-7H,4-5H2,1-2H3,(H2,12,13,15)/t7-/m0/s1.

What are the key properties of 9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]purin-2-amine?

9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]purin-2-amine has a molecular weight of 249.27 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]purin-2-amine is sourced from PubChem (CID 158400483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158400483 — identifiers, structure, computed properties (public domain)

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