5-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C₁₄H₁₆N₄S — CID 56896692

About 5-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine

5-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56896692) has the molecular formula C₁₄H₁₆N₄S and a molecular weight of 272.38 g/mol. Its IUPAC name is 5-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 5-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 56896692
• Molecular Formula: C₁₄H₁₆N₄S
• Molecular Weight: 272.38 g/mol
• Exact Mass: 272.11
• IUPAC Name: 5-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: Cc1cc(NC(C)Cc2cccs2)n2nccc2n1
• InChI: InChI=1S/C14H16N4S/c1-10(8-12-4-3-7-19-12)17-14-9-11(2)16-13-5-6-15-18(13)14/h3-7,9-10,17H,8H2,1-2H3
• InChIKey: CYOKIENASYCMOH-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 42.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	272.38
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 5-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 56896692) is 5-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 5-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 5-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NC(C)Cc2cccs2)n2nccc2n1.

What is the InChIKey of 5-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is CYOKIENASYCMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-10(8-12-4-3-7-19-12)17-14-9-11(2)16-13-5-6-15-18(13)14/h3-7,9-10,17H,8H2,1-2H3.

What are the key properties of 5-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

5-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 272.38 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56896692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 56896692 — identifiers, structure, computed properties (public domain)

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