2,4-dimethyl-6-[4-[(4-methylphenyl)methoxy]phenyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione

C23H23N5O3 — CID 42108677

IUPAC2,4-dimethyl-6-[4-[(4-methylphenyl)methoxy]phenyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
SMILESCc1ccc(COc2ccc(N3CCn4c3nc3c4c(=O)n(C)c(=O)n3C)cc2)cc1
InChIInChI=1S/C23H23N5O3/c1-15-4-6-16(7-5-15)14-31-18-10-8-17(9-11-18)27-12-13-28-19-20(24-22(27)28)25(2)23(30)26(3)21(19)29/h4-11H,12-14H2,1-3H3
InChIKeyVKXFQTVQTYMVKN-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.47
Rot. Bonds4

About 2,4-dimethyl-6-[4-[(4-methylphenyl)methoxy]phenyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione

2,4-dimethyl-6-[4-[(4-methylphenyl)methoxy]phenyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione (PubChem CID 42108677) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 2,4-dimethyl-6-[4-[(4-methylphenyl)methoxy]phenyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name2,4-dimethyl-6-[4-[(4-methylphenyl)methoxy]phenyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
PubChem CID42108677
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name2,4-dimethyl-6-[4-[(4-methylphenyl)methoxy]phenyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
SMILESCc1ccc(COc2ccc(N3CCn4c3nc3c4c(=O)n(C)c(=O)n3C)cc2)cc1
InChIInChI=1S/C23H23N5O3/c1-15-4-6-16(7-5-15)14-31-18-10-8-17(9-11-18)27-12-13-28-19-20(24-22(27)28)25(2)23(30)26(3)21(19)29/h4-11H,12-14H2,1-3H3
InChIKeyVKXFQTVQTYMVKN-UHFFFAOYSA-N
XLogP2.47
TPSA74.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2,4-dimethyl-6-[4-[(4-methylphenyl)methoxy]phenyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione with MolForge

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Related Compounds

2,4-dimethyl-6-(4-propoxyphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 42108671
2,4-dimethyl-6-[4-(2-phenylethoxy)phenyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 82018676
2,4-dimethyl-6-(4-phenoxyphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 4859162
6-(3,4-dimethylphenyl)-2,4-dimethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 3610074
benzyl 2-[4-methyl-6-(4-methylphenyl)-1,3-dioxo-7,8-dihydropurino[7,8-a]imidazol-2-yl]acetate
CID 44893780
2-heptyl-4-methyl-6-(4-methylphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 5091688
2-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 4888977
2-[(4-bromophenyl)methyl]-6-(4-methoxyphenyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 44893747
1-methyl-9-(4-methylphenyl)-3-(2-methylpropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 5159470
2-benzyl-4-methyl-6-(4-phenoxyphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 44893769
(7S)-9-(4-methoxyphenyl)-1,3,7-trimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CID 7006262
6-(4-methoxyphenyl)-4-methyl-2-(2-methylprop-2-enyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
CID 4890261

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[4-[(4-methylphenyl)methoxy]phenyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 2,4-dimethyl-6-[4-[(4-methylphenyl)methoxy]phenyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione (CID 42108677) is 2,4-dimethyl-6-[4-[(4-methylphenyl)methoxy]phenyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 2,4-dimethyl-6-[4-[(4-methylphenyl)methoxy]phenyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 2,4-dimethyl-6-[4-[(4-methylphenyl)methoxy]phenyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione is Cc1ccc(COc2ccc(N3CCn4c3nc3c4c(=O)n(C)c(=O)n3C)cc2)cc1.
What is the InChIKey of 2,4-dimethyl-6-[4-[(4-methylphenyl)methoxy]phenyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
The InChIKey is VKXFQTVQTYMVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-15-4-6-16(7-5-15)14-31-18-10-8-17(9-11-18)27-12-13-28-19-20(24-22(27)28)25(2)23(30)26(3)21(19)29/h4-11H,12-14H2,1-3H3.
What are the key properties of 2,4-dimethyl-6-[4-[(4-methylphenyl)methoxy]phenyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione?
2,4-dimethyl-6-[4-[(4-methylphenyl)methoxy]phenyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione has a molecular weight of 417.47 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[4-[(4-methylphenyl)methoxy]phenyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 42108677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).