(5R)-3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione

C23H23N7O2 — CID 41105232

About (5R)-3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione

(5R)-3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione (PubChem CID 41105232) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is (5R)-3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione
• PubChem CID: 41105232
• Molecular Formula: C23H23N7O2
• Molecular Weight: 429.48 g/mol
• Exact Mass: 429.19
• IUPAC Name: (5R)-3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione
• SMILES: C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(Cc2nc(N)nc(Nc3ccccc3)n2)C1=O
• InChI: InChI=1S/C23H23N7O2/c1-23(16-11-10-14-6-5-7-15(14)12-16)19(31)30(22(32)29-23)13-18-26-20(24)28-21(27-18)25-17-8-3-2-4-9-17/h2-4,8-12H,5-7,13H2,1H3,(H,29,32)(H3,24,25,26,27,28)/t23-/m1/s1
• InChIKey: ASPIBPJAXXYSRT-HSZRJFAPSA-N
• XLogP: 2.65
• TPSA: 126.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.48
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (5R)-3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione (CID 41105232) is (5R)-3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione.

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

The canonical SMILES for (5R)-3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione is C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(Cc2nc(N)nc(Nc3ccccc3)n2)C1=O.

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

The InChIKey is ASPIBPJAXXYSRT-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-23(16-11-10-14-6-5-7-15(14)12-16)19(31)30(22(32)29-23)13-18-26-20(24)28-21(27-18)25-17-8-3-2-4-9-17/h2-4,8-12H,5-7,13H2,1H3,(H,29,32)(H3,24,25,26,27,28)/t23-/m1/s1.

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

(5R)-3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione has a molecular weight of 429.48 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 41105232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).