1-[(2-aminopyrimidin-4-yl)methyl]-3-[1-[2-(tert-butylamino)acetyl]-3,3-dimethyl-2H-indol-6-yl]-5,5-dimethylimidazolidine-2,4-dione

C26H35N7O3 — CID 66915745

About 1-[(2-aminopyrimidin-4-yl)methyl]-3-[1-[2-(tert-butylamino)acetyl]-3,3-dimethyl-2H-indol-6-yl]-5,5-dimethylimidazolidine-2,4-dione

1-[(2-aminopyrimidin-4-yl)methyl]-3-[1-[2-(tert-butylamino)acetyl]-3,3-dimethyl-2H-indol-6-yl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 66915745) has the molecular formula C26H35N7O3 and a molecular weight of 493.61 g/mol. Its IUPAC name is 1-[(2-aminopyrimidin-4-yl)methyl]-3-[1-[2-(tert-butylamino)acetyl]-3,3-dimethyl-2H-indol-6-yl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[(2-aminopyrimidin-4-yl)methyl]-3-[1-[2-(tert-butylamino)acetyl]-3,3-dimethyl-2H-indol-6-yl]-5,5-dimethylimidazolidine-2,4-dione
• PubChem CID: 66915745
• Molecular Formula: C26H35N7O3
• Molecular Weight: 493.61 g/mol
• Exact Mass: 493.28
• IUPAC Name: 1-[(2-aminopyrimidin-4-yl)methyl]-3-[1-[2-(tert-butylamino)acetyl]-3,3-dimethyl-2H-indol-6-yl]-5,5-dimethylimidazolidine-2,4-dione
• SMILES: CC(C)(C)NCC(=O)N1CC(C)(C)c2ccc(N3C(=O)N(Cc4ccnc(N)n4)C(C)(C)C3=O)cc21
• InChI: InChI=1S/C26H35N7O3/c1-24(2,3)29-13-20(34)31-15-25(4,5)18-9-8-17(12-19(18)31)33-21(35)26(6,7)32(23(33)36)14-16-10-11-28-22(27)30-16/h8-12,29H,13-15H2,1-7H3,(H2,27,28,30)
• InChIKey: QBLMUFGNCYNUSK-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 124.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.61
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	2
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 1-[(2-aminopyrimidin-4-yl)methyl]-3-[1-[2-(tert-butylamino)acetyl]-3,3-dimethyl-2H-indol-6-yl]-5,5-dimethylimidazolidine-2,4-dione?

The IUPAC name of 1-[(2-aminopyrimidin-4-yl)methyl]-3-[1-[2-(tert-butylamino)acetyl]-3,3-dimethyl-2H-indol-6-yl]-5,5-dimethylimidazolidine-2,4-dione (CID 66915745) is 1-[(2-aminopyrimidin-4-yl)methyl]-3-[1-[2-(tert-butylamino)acetyl]-3,3-dimethyl-2H-indol-6-yl]-5,5-dimethylimidazolidine-2,4-dione.

What is the SMILES notation for 1-[(2-aminopyrimidin-4-yl)methyl]-3-[1-[2-(tert-butylamino)acetyl]-3,3-dimethyl-2H-indol-6-yl]-5,5-dimethylimidazolidine-2,4-dione?

The canonical SMILES for 1-[(2-aminopyrimidin-4-yl)methyl]-3-[1-[2-(tert-butylamino)acetyl]-3,3-dimethyl-2H-indol-6-yl]-5,5-dimethylimidazolidine-2,4-dione is CC(C)(C)NCC(=O)N1CC(C)(C)c2ccc(N3C(=O)N(Cc4ccnc(N)n4)C(C)(C)C3=O)cc21.

What is the InChIKey of 1-[(2-aminopyrimidin-4-yl)methyl]-3-[1-[2-(tert-butylamino)acetyl]-3,3-dimethyl-2H-indol-6-yl]-5,5-dimethylimidazolidine-2,4-dione?

The InChIKey is QBLMUFGNCYNUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N7O3/c1-24(2,3)29-13-20(34)31-15-25(4,5)18-9-8-17(12-19(18)31)33-21(35)26(6,7)32(23(33)36)14-16-10-11-28-22(27)30-16/h8-12,29H,13-15H2,1-7H3,(H2,27,28,30).

What are the key properties of 1-[(2-aminopyrimidin-4-yl)methyl]-3-[1-[2-(tert-butylamino)acetyl]-3,3-dimethyl-2H-indol-6-yl]-5,5-dimethylimidazolidine-2,4-dione?

1-[(2-aminopyrimidin-4-yl)methyl]-3-[1-[2-(tert-butylamino)acetyl]-3,3-dimethyl-2H-indol-6-yl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 493.61 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-aminopyrimidin-4-yl)methyl]-3-[1-[2-(tert-butylamino)acetyl]-3,3-dimethyl-2H-indol-6-yl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 66915745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).