N-(6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine

C₁₆H₁₅N₅O₂S — CID 58478363

About N-(6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine

N-(6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine (PubChem CID 58478363) has the molecular formula C₁₆H₁₅N₅O₂S and a molecular weight of 341.40 g/mol. Its IUPAC name is N-(6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine.

Molecular Properties

• Compound Name: N-(6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine
• PubChem CID: 58478363
• Molecular Formula: C₁₆H₁₅N₅O₂S
• Molecular Weight: 341.40 g/mol
• Exact Mass: 341.09
• IUPAC Name: N-(6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine
• SMILES: CS(=O)(=O)N1Cc2ncnc(Nc3cnc4ccccc4c3)c2C1
• InChI: InChI=1S/C16H15N5O2S/c1-24(22,23)21-8-13-15(9-21)18-10-19-16(13)20-12-6-11-4-2-3-5-14(11)17-7-12/h2-7,10H,8-9H2,1H3,(H,18,19,20)
• InChIKey: HNXWQDYQLQITGI-UHFFFAOYSA-N
• XLogP: 2.04
• TPSA: 88.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.40
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine?

The IUPAC name of N-(6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine (CID 58478363) is N-(6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine.

What is the SMILES notation for N-(6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine?

The canonical SMILES for N-(6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine is CS(=O)(=O)N1Cc2ncnc(Nc3cnc4ccccc4c3)c2C1.

What is the InChIKey of N-(6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine?

The InChIKey is HNXWQDYQLQITGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c1-24(22,23)21-8-13-15(9-21)18-10-19-16(13)20-12-6-11-4-2-3-5-14(11)17-7-12/h2-7,10H,8-9H2,1H3,(H,18,19,20).

What are the key properties of N-(6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine?

N-(6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine has a molecular weight of 341.40 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine is sourced from PubChem (CID 58478363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 58478363 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.