2,4-dimethyl-7-phenyl-6-(1,3-thiazol-2-yl)purino[7,8-a]imidazole-1,3-dione

C18H14N6O2S — CID 4899604

IUPAC2,4-dimethyl-7-phenyl-6-(1,3-thiazol-2-yl)purino[7,8-a]imidazole-1,3-dione
SMILESCn1c(=O)c2c(nc3n(-c4nccs4)c(-c4ccccc4)cn23)n(C)c1=O
InChIInChI=1S/C18H14N6O2S/c1-21-14-13(15(25)22(2)18(21)26)23-10-12(11-6-4-3-5-7-11)24(16(23)20-14)17-19-8-9-27-17/h3-10H,1-2H3
InChIKeyGEEFODCJFFVJPV-UHFFFAOYSA-N
MW378.42 g/mol
LogP1.80
Rot. Bonds2

About 2,4-dimethyl-7-phenyl-6-(1,3-thiazol-2-yl)purino[7,8-a]imidazole-1,3-dione

2,4-dimethyl-7-phenyl-6-(1,3-thiazol-2-yl)purino[7,8-a]imidazole-1,3-dione (PubChem CID 4899604) has the molecular formula C18H14N6O2S and a molecular weight of 378.42 g/mol. Its IUPAC name is 2,4-dimethyl-7-phenyl-6-(1,3-thiazol-2-yl)purino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name2,4-dimethyl-7-phenyl-6-(1,3-thiazol-2-yl)purino[7,8-a]imidazole-1,3-dione
PubChem CID4899604
Molecular FormulaC18H14N6O2S
Molecular Weight378.42 g/mol
Exact Mass378.09
IUPAC Name2,4-dimethyl-7-phenyl-6-(1,3-thiazol-2-yl)purino[7,8-a]imidazole-1,3-dione
SMILESCn1c(=O)c2c(nc3n(-c4nccs4)c(-c4ccccc4)cn23)n(C)c1=O
InChIInChI=1S/C18H14N6O2S/c1-21-14-13(15(25)22(2)18(21)26)23-10-12(11-6-4-3-5-7-11)24(16(23)20-14)17-19-8-9-27-17/h3-10H,1-2H3
InChIKeyGEEFODCJFFVJPV-UHFFFAOYSA-N
XLogP1.80
TPSA79.12 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2,4-dimethyl-7-phenyl-6-(1,3-thiazol-2-yl)purino[7,8-a]imidazole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-hydroxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 1383251
6-ethyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 3162690
6-(3-bromo-4-methylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 1039534
6-[4-(difluoromethoxy)phenyl]-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 35794921
2,4-dimethyl-6-(4-octoxyphenyl)-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 3768877
6-(2-hydroxy-2-phenylethyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 3738407
6-(3-methoxypropyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 3815397
6-(3-hydroxypropyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 3742536
7-(4-chlorophenyl)-2,4-dimethyl-6-(2-methylphenyl)purino[7,8-a]imidazole-1,3-dione
CID 3386410
ethyl 4-(2,4-dimethyl-1,3-dioxo-7-phenylpurino[7,8-a]imidazol-6-yl)benzoate
CID 34638597
6-(2-methoxyphenyl)-7-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 4655266
6-(4-methoxyphenyl)-2,4-dimethyl-7-naphthalen-2-ylpurino[7,8-a]imidazole-1,3-dione
CID 4987572

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-7-phenyl-6-(1,3-thiazol-2-yl)purino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 2,4-dimethyl-7-phenyl-6-(1,3-thiazol-2-yl)purino[7,8-a]imidazole-1,3-dione (CID 4899604) is 2,4-dimethyl-7-phenyl-6-(1,3-thiazol-2-yl)purino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 2,4-dimethyl-7-phenyl-6-(1,3-thiazol-2-yl)purino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 2,4-dimethyl-7-phenyl-6-(1,3-thiazol-2-yl)purino[7,8-a]imidazole-1,3-dione is Cn1c(=O)c2c(nc3n(-c4nccs4)c(-c4ccccc4)cn23)n(C)c1=O.
What is the InChIKey of 2,4-dimethyl-7-phenyl-6-(1,3-thiazol-2-yl)purino[7,8-a]imidazole-1,3-dione?
The InChIKey is GEEFODCJFFVJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O2S/c1-21-14-13(15(25)22(2)18(21)26)23-10-12(11-6-4-3-5-7-11)24(16(23)20-14)17-19-8-9-27-17/h3-10H,1-2H3.
What are the key properties of 2,4-dimethyl-7-phenyl-6-(1,3-thiazol-2-yl)purino[7,8-a]imidazole-1,3-dione?
2,4-dimethyl-7-phenyl-6-(1,3-thiazol-2-yl)purino[7,8-a]imidazole-1,3-dione has a molecular weight of 378.42 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-7-phenyl-6-(1,3-thiazol-2-yl)purino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 4899604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).