7-(4-methoxyphenyl)-2,4-dimethyl-6-(3-methylphenyl)purino[7,8-a]imidazole-1,3-dione

C23H21N5O3 — CID 1202724

IUPAC7-(4-methoxyphenyl)-2,4-dimethyl-6-(3-methylphenyl)purino[7,8-a]imidazole-1,3-dione
SMILESCOc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2cccc(C)c2)cc1
InChIInChI=1S/C23H21N5O3/c1-14-6-5-7-16(12-14)28-18(15-8-10-17(31-4)11-9-15)13-27-19-20(24-22(27)28)25(2)23(30)26(3)21(19)29/h5-13H,1-4H3
InChIKeyQKSPHMHGYKXHIJ-UHFFFAOYSA-N
MW415.45 g/mol
LogP2.66
Rot. Bonds3

About 7-(4-methoxyphenyl)-2,4-dimethyl-6-(3-methylphenyl)purino[7,8-a]imidazole-1,3-dione

7-(4-methoxyphenyl)-2,4-dimethyl-6-(3-methylphenyl)purino[7,8-a]imidazole-1,3-dione (PubChem CID 1202724) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-2,4-dimethyl-6-(3-methylphenyl)purino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-2,4-dimethyl-6-(3-methylphenyl)purino[7,8-a]imidazole-1,3-dione
PubChem CID1202724
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name7-(4-methoxyphenyl)-2,4-dimethyl-6-(3-methylphenyl)purino[7,8-a]imidazole-1,3-dione
SMILESCOc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2cccc(C)c2)cc1
InChIInChI=1S/C23H21N5O3/c1-14-6-5-7-16(12-14)28-18(15-8-10-17(31-4)11-9-15)13-27-19-20(24-22(27)28)25(2)23(30)26(3)21(19)29/h5-13H,1-4H3
InChIKeyQKSPHMHGYKXHIJ-UHFFFAOYSA-N
XLogP2.66
TPSA75.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-2,4-dimethyl-6-(3-methylphenyl)purino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 7-(4-methoxyphenyl)-2,4-dimethyl-6-(3-methylphenyl)purino[7,8-a]imidazole-1,3-dione (CID 1202724) is 7-(4-methoxyphenyl)-2,4-dimethyl-6-(3-methylphenyl)purino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 7-(4-methoxyphenyl)-2,4-dimethyl-6-(3-methylphenyl)purino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 7-(4-methoxyphenyl)-2,4-dimethyl-6-(3-methylphenyl)purino[7,8-a]imidazole-1,3-dione is COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2cccc(C)c2)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-2,4-dimethyl-6-(3-methylphenyl)purino[7,8-a]imidazole-1,3-dione?
The InChIKey is QKSPHMHGYKXHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-14-6-5-7-16(12-14)28-18(15-8-10-17(31-4)11-9-15)13-27-19-20(24-22(27)28)25(2)23(30)26(3)21(19)29/h5-13H,1-4H3.
What are the key properties of 7-(4-methoxyphenyl)-2,4-dimethyl-6-(3-methylphenyl)purino[7,8-a]imidazole-1,3-dione?
7-(4-methoxyphenyl)-2,4-dimethyl-6-(3-methylphenyl)purino[7,8-a]imidazole-1,3-dione has a molecular weight of 415.45 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-2,4-dimethyl-6-(3-methylphenyl)purino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 1202724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).