2-(2-methoxyethyl)-4,7-dimethyl-6-(1-phenylethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione

C20H25N5O3 — CID 73328686

IUPAC2-(2-methoxyethyl)-4,7-dimethyl-6-(1-phenylethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
SMILESCOCCN1C(=O)C2C(N=C3N2C=C(C)N3C(C)c2ccccc2)N(C)C1=O
InChIInChI=1S/C20H25N5O3/c1-13-12-24-16-17(22(3)20(27)23(18(16)26)10-11-28-4)21-19(24)25(13)14(2)15-8-6-5-7-9-15/h5-9,12,14,16-17H,10-11H2,1-4H3
InChIKeyJPVDNQRNBKQUCV-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.83
Rot. Bonds5

About 2-(2-methoxyethyl)-4,7-dimethyl-6-(1-phenylethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione

2-(2-methoxyethyl)-4,7-dimethyl-6-(1-phenylethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione (PubChem CID 73328686) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-4,7-dimethyl-6-(1-phenylethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name2-(2-methoxyethyl)-4,7-dimethyl-6-(1-phenylethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
PubChem CID73328686
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name2-(2-methoxyethyl)-4,7-dimethyl-6-(1-phenylethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
SMILESCOCCN1C(=O)C2C(N=C3N2C=C(C)N3C(C)c2ccccc2)N(C)C1=O
InChIInChI=1S/C20H25N5O3/c1-13-12-24-16-17(22(3)20(27)23(18(16)26)10-11-28-4)21-19(24)25(13)14(2)15-8-6-5-7-9-15/h5-9,12,14,16-17H,10-11H2,1-4H3
InChIKeyJPVDNQRNBKQUCV-UHFFFAOYSA-N
XLogP1.83
TPSA68.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,5-dimethylphenyl)-2-(2-methoxyethyl)-4-methyl-7-phenyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73283000
2-(2-methoxyethyl)-6-(3-methoxyphenyl)-4,7-dimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 78370147
6-(3,4-dimethylphenyl)-2-(2-methoxyethyl)-4,7-dimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 78369523
6-(3,4-dimethylphenyl)-2-(2-methoxyethyl)-4-methyl-7-phenyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73283790
2-(2-methoxyethyl)-6-(2-methoxyphenyl)-4-methyl-7-phenyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73281418
4,7-dimethyl-2-(2-methylpropyl)-6-phenyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 78369187
2-(2-methoxyethyl)-4-methyl-7-phenyl-4a,9a-dihydropurino[8,7-b][1,3]oxazole-1,3-dione
CID 78370134
4,7-dimethyl-2-(2-phenylethyl)-6-propyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73326739
2-benzyl-6-[(4-methoxyphenyl)methyl]-4,7-dimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 78371046
6-(3-ethoxypropyl)-4,7-dimethyl-2-(2-phenylethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 78305636
2-benzyl-6-(2-chloroethyl)-4,7-dimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 73280290
2-(2-methoxyethyl)-4,7,8-trimethyl-6-(2-methylphenyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
CID 78368229

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-4,7-dimethyl-6-(1-phenylethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 2-(2-methoxyethyl)-4,7-dimethyl-6-(1-phenylethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione (CID 73328686) is 2-(2-methoxyethyl)-4,7-dimethyl-6-(1-phenylethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 2-(2-methoxyethyl)-4,7-dimethyl-6-(1-phenylethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 2-(2-methoxyethyl)-4,7-dimethyl-6-(1-phenylethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione is COCCN1C(=O)C2C(N=C3N2C=C(C)N3C(C)c2ccccc2)N(C)C1=O.
What is the InChIKey of 2-(2-methoxyethyl)-4,7-dimethyl-6-(1-phenylethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione?
The InChIKey is JPVDNQRNBKQUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-13-12-24-16-17(22(3)20(27)23(18(16)26)10-11-28-4)21-19(24)25(13)14(2)15-8-6-5-7-9-15/h5-9,12,14,16-17H,10-11H2,1-4H3.
What are the key properties of 2-(2-methoxyethyl)-4,7-dimethyl-6-(1-phenylethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione?
2-(2-methoxyethyl)-4,7-dimethyl-6-(1-phenylethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione has a molecular weight of 383.45 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-4,7-dimethyl-6-(1-phenylethyl)-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 73328686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).