3-(1-butyl-4-methoxypyrazolo[5,4-d]pyrimidin-3-yl)phenol

C₁₆H₁₈N₄O₂ — CID 162353028

About 3-(1-butyl-4-methoxypyrazolo[5,4-d]pyrimidin-3-yl)phenol

3-(1-butyl-4-methoxypyrazolo[5,4-d]pyrimidin-3-yl)phenol (PubChem CID 162353028) has the molecular formula C₁₆H₁₈N₄O₂ and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-(1-butyl-4-methoxypyrazolo[5,4-d]pyrimidin-3-yl)phenol.

Molecular Properties

• Compound Name: 3-(1-butyl-4-methoxypyrazolo[5,4-d]pyrimidin-3-yl)phenol
• PubChem CID: 162353028
• Molecular Formula: C₁₆H₁₈N₄O₂
• Molecular Weight: 298.35 g/mol
• Exact Mass: 298.14
• IUPAC Name: 3-(1-butyl-4-methoxypyrazolo[5,4-d]pyrimidin-3-yl)phenol
• SMILES: CCCCn1nc(-c2cccc(O)c2)c2c(OC)ncnc21
• InChI: InChI=1S/C16H18N4O2/c1-3-4-8-20-15-13(16(22-2)18-10-17-15)14(19-20)11-6-5-7-12(21)9-11/h5-7,9-10,21H,3-4,8H2,1-2H3
• InChIKey: FIDCNKBXYBRYFV-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 73.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	298.35
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(1-butyl-4-methoxypyrazolo[5,4-d]pyrimidin-3-yl)phenol?

The IUPAC name of 3-(1-butyl-4-methoxypyrazolo[5,4-d]pyrimidin-3-yl)phenol (CID 162353028) is 3-(1-butyl-4-methoxypyrazolo[5,4-d]pyrimidin-3-yl)phenol.

What is the SMILES notation for 3-(1-butyl-4-methoxypyrazolo[5,4-d]pyrimidin-3-yl)phenol?

The canonical SMILES for 3-(1-butyl-4-methoxypyrazolo[5,4-d]pyrimidin-3-yl)phenol is CCCCn1nc(-c2cccc(O)c2)c2c(OC)ncnc21.

What is the InChIKey of 3-(1-butyl-4-methoxypyrazolo[5,4-d]pyrimidin-3-yl)phenol?

The InChIKey is FIDCNKBXYBRYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-3-4-8-20-15-13(16(22-2)18-10-17-15)14(19-20)11-6-5-7-12(21)9-11/h5-7,9-10,21H,3-4,8H2,1-2H3.

What are the key properties of 3-(1-butyl-4-methoxypyrazolo[5,4-d]pyrimidin-3-yl)phenol?

3-(1-butyl-4-methoxypyrazolo[5,4-d]pyrimidin-3-yl)phenol has a molecular weight of 298.35 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-butyl-4-methoxypyrazolo[5,4-d]pyrimidin-3-yl)phenol is sourced from PubChem (CID 162353028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 162353028 — identifiers, structure, computed properties (public domain)

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