N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide

C17H25N7O2 — CID 122295473

About N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide

N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 122295473) has the molecular formula C17H25N7O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide
• PubChem CID: 122295473
• Molecular Formula: C17H25N7O2
• Molecular Weight: 359.43 g/mol
• Exact Mass: 359.21
• IUPAC Name: N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide
• SMILES: Cc1cc(N(C)C)nc(NCCNC(=O)Cn2cnc(C)c(C)c2=O)n1
• InChI: InChI=1S/C17H25N7O2/c1-11-8-14(23(4)5)22-17(21-11)19-7-6-18-15(25)9-24-10-20-13(3)12(2)16(24)26/h8,10H,6-7,9H2,1-5H3,(H,18,25)(H,19,21,22)
• InChIKey: NZSDXSRXAQGJBD-UHFFFAOYSA-N
• XLogP: 0.25
• TPSA: 105.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.43
LogP ≤ 5	0.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide?

The IUPAC name of N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide (CID 122295473) is N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide.

What is the SMILES notation for N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide?

The canonical SMILES for N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide is Cc1cc(N(C)C)nc(NCCNC(=O)Cn2cnc(C)c(C)c2=O)n1.

What is the InChIKey of N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide?

The InChIKey is NZSDXSRXAQGJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O2/c1-11-8-14(23(4)5)22-17(21-11)19-7-6-18-15(25)9-24-10-20-13(3)12(2)16(24)26/h8,10H,6-7,9H2,1-5H3,(H,18,25)(H,19,21,22).

What are the key properties of N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide?

N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 359.43 g/mol, XLogP of 0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 122295473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).