N,N-dimethylformamide;6-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione

C28H32N6O4 — CID 90485132

About N,N-dimethylformamide;6-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione

N,N-dimethylformamide;6-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione (PubChem CID 90485132) has the molecular formula C28H32N6O4 and a molecular weight of 516.60 g/mol. Its IUPAC name is N,N-dimethylformamide;6-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

• Compound Name: N,N-dimethylformamide;6-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
• PubChem CID: 90485132
• Molecular Formula: C28H32N6O4
• Molecular Weight: 516.60 g/mol
• Exact Mass: 516.25
• IUPAC Name: N,N-dimethylformamide;6-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
• SMILES: CN(C)C=O.Cc1cc(O)c(C(C)C)cc1-n1c(-c2ccccc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12
• InChI: InChI=1S/C25H25N5O3.C3H7NO/c1-14(2)17-12-18(15(3)11-20(17)31)30-19(16-9-7-6-8-10-16)13-29-21-22(26-24(29)30)27(4)25(33)28(5)23(21)32;1-4(2)3-5/h6-14,31H,1-5H3;3H,1-2H3
• InChIKey: ANSAJDHCPUJGQN-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 106.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.60
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;6-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione?

The IUPAC name of N,N-dimethylformamide;6-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione (CID 90485132) is N,N-dimethylformamide;6-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione.

What is the SMILES notation for N,N-dimethylformamide;6-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione?

The canonical SMILES for N,N-dimethylformamide;6-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione is CN(C)C=O.Cc1cc(O)c(C(C)C)cc1-n1c(-c2ccccc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12.

What is the InChIKey of N,N-dimethylformamide;6-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione?

The InChIKey is ANSAJDHCPUJGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3.C3H7NO/c1-14(2)17-12-18(15(3)11-20(17)31)30-19(16-9-7-6-8-10-16)13-29-21-22(26-24(29)30)27(4)25(33)28(5)23(21)32;1-4(2)3-5/h6-14,31H,1-5H3;3H,1-2H3.

What are the key properties of N,N-dimethylformamide;6-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione?

N,N-dimethylformamide;6-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione has a molecular weight of 516.60 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethylformamide;6-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 90485132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).