N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide

C₁₆H₁₈N₈O — CID 175650599

About N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide

N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide (PubChem CID 175650599) has the molecular formula C₁₆H₁₈N₈O and a molecular weight of 338.38 g/mol. Its IUPAC name is N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide
• PubChem CID: 175650599
• Molecular Formula: C₁₆H₁₈N₈O
• Molecular Weight: 338.38 g/mol
• Exact Mass: 338.16
• IUPAC Name: N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide
• SMILES: Cn1cnc2c(N3CCCC(NC(=O)c4ccncn4)C3)ncnc21
• InChI: InChI=1S/C16H18N8O/c1-23-10-21-13-14(23)19-9-20-15(13)24-6-2-3-11(7-24)22-16(25)12-4-5-17-8-18-12/h4-5,8-11H,2-3,6-7H2,1H3,(H,22,25)
• InChIKey: ARCIYDPOIPNQCT-UHFFFAOYSA-N
• XLogP: 0.55
• TPSA: 101.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.38
LogP ≤ 5	0.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide?

The IUPAC name of N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide (CID 175650599) is N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide.

What is the SMILES notation for N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide?

The canonical SMILES for N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide is Cn1cnc2c(N3CCCC(NC(=O)c4ccncn4)C3)ncnc21.

What is the InChIKey of N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide?

The InChIKey is ARCIYDPOIPNQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8O/c1-23-10-21-13-14(23)19-9-20-15(13)24-6-2-3-11(7-24)22-16(25)12-4-5-17-8-18-12/h4-5,8-11H,2-3,6-7H2,1H3,(H,22,25).

What are the key properties of N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide?

N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide has a molecular weight of 338.38 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 175650599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 175650599 — identifiers, structure, computed properties (public domain)

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