N-methyl-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-2-amine

C₁₃H₁₂N₄S — CID 130451598

About N-methyl-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-2-amine

N-methyl-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 130451598) has the molecular formula C₁₃H₁₂N₄S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-methyl-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-methyl-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-2-amine
• PubChem CID: 130451598
• Molecular Formula: C₁₃H₁₂N₄S
• Molecular Weight: 256.33 g/mol
• Exact Mass: 256.08
• IUPAC Name: N-methyl-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-2-amine
• SMILES: CNc1nn2cccnc2c1Sc1ccccc1
• InChI: InChI=1S/C13H12N4S/c1-14-12-11(18-10-6-3-2-4-7-10)13-15-8-5-9-17(13)16-12/h2-9H,1H3,(H,14,16)
• InChIKey: ULGXLZINBHBVNJ-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 42.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	256.33
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-2-amine?

The IUPAC name of N-methyl-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-2-amine (CID 130451598) is N-methyl-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-2-amine.

What is the SMILES notation for N-methyl-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-2-amine?

The canonical SMILES for N-methyl-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-2-amine is CNc1nn2cccnc2c1Sc1ccccc1.

What is the InChIKey of N-methyl-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-2-amine?

The InChIKey is ULGXLZINBHBVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c1-14-12-11(18-10-6-3-2-4-7-10)13-15-8-5-9-17(13)16-12/h2-9H,1H3,(H,14,16).

What are the key properties of N-methyl-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-2-amine?

N-methyl-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 256.33 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 130451598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 130451598 — identifiers, structure, computed properties (public domain)

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