(5R)-5-[1-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione

C20H26N8O3 — CID 95786035

About (5R)-5-[1-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione

(5R)-5-[1-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione (PubChem CID 95786035) has the molecular formula C20H26N8O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is (5R)-5-[1-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[1-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
• PubChem CID: 95786035
• Molecular Formula: C20H26N8O3
• Molecular Weight: 426.48 g/mol
• Exact Mass: 426.21
• IUPAC Name: (5R)-5-[1-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
• SMILES: COc1ccccc1Nc1nc(N)nc(CN2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1
• InChI: InChI=1S/C20H26N8O3/c1-20(16(29)25-19(30)27-20)12-7-9-28(10-8-12)11-15-23-17(21)26-18(24-15)22-13-5-3-4-6-14(13)31-2/h3-6,12H,7-11H2,1-2H3,(H2,25,27,29,30)(H3,21,22,23,24,26)/t20-/m1/s1
• InChIKey: CNUYEITUIKYBOR-HXUWFJFHSA-N
• XLogP: 1.02
• TPSA: 147.39 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.48
LogP ≤ 5	1.02
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[1-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[1-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione (CID 95786035) is (5R)-5-[1-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[1-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[1-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione is COc1ccccc1Nc1nc(N)nc(CN2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1.

What is the InChIKey of (5R)-5-[1-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?

The InChIKey is CNUYEITUIKYBOR-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H26N8O3/c1-20(16(29)25-19(30)27-20)12-7-9-28(10-8-12)11-15-23-17(21)26-18(24-15)22-13-5-3-4-6-14(13)31-2/h3-6,12H,7-11H2,1-2H3,(H2,25,27,29,30)(H3,21,22,23,24,26)/t20-/m1/s1.

What are the key properties of (5R)-5-[1-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?

(5R)-5-[1-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione has a molecular weight of 426.48 g/mol, XLogP of 1.02, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[1-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 95786035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).