6-(2-methoxyphenyl)-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione

C20H23N5O3 — CID 16615630

IUPAC6-(2-methoxyphenyl)-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione
SMILESCCCn1c(=O)c2c(nc3n(-c4ccccc4OC)c(C)c(C)n23)n(C)c1=O
InChIInChI=1S/C20H23N5O3/c1-6-11-23-18(26)16-17(22(4)20(23)27)21-19-24(12(2)13(3)25(16)19)14-9-7-8-10-15(14)28-5/h7-10H,6,11H2,1-5H3
InChIKeyCOFJGHKQVFBGJX-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.17
Rot. Bonds4

About 6-(2-methoxyphenyl)-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione

6-(2-methoxyphenyl)-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione (PubChem CID 16615630) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione
PubChem CID16615630
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name6-(2-methoxyphenyl)-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione
SMILESCCCn1c(=O)c2c(nc3n(-c4ccccc4OC)c(C)c(C)n23)n(C)c1=O
InChIInChI=1S/C20H23N5O3/c1-6-11-23-18(26)16-17(22(4)20(23)27)21-19-24(12(2)13(3)25(16)19)14-9-7-8-10-15(14)28-5/h7-10H,6,11H2,1-5H3
InChIKeyCOFJGHKQVFBGJX-UHFFFAOYSA-N
XLogP2.17
TPSA75.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3-hydroxypropyl)-6-(2-methoxyphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 4888155
6-(2-methoxyphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione
CID 3165145
2-[(4-fluorophenyl)methyl]-6-(2-methoxyphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 16623898
6-(2-ethoxyphenyl)-4,7,8-trimethyl-2-(2-phenylethyl)purino[7,8-a]imidazole-1,3-dione
CID 16623952
2-butyl-6-(2-hydroxyphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 16610339
2-ethyl-6-(2-ethylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 16615744
6-(2,4-dimethylphenyl)-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione
CID 7214040
6-(2,5-dimethoxyphenyl)-2-(2-methoxyethyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 16614233
6-(5-chloro-2-methylphenyl)-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione
CID 16623938
6-(2,4-dimethoxyphenyl)-2-(3-hydroxypropyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 4888818
6-(2-methoxy-5-methylphenyl)-4,7,8-trimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione
CID 7520601
methyl 3-[6-(2,5-dimethoxyphenyl)-4,7,8-trimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]propanoate
CID 16616190

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 6-(2-methoxyphenyl)-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione (CID 16615630) is 6-(2-methoxyphenyl)-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 6-(2-methoxyphenyl)-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 6-(2-methoxyphenyl)-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione is CCCn1c(=O)c2c(nc3n(-c4ccccc4OC)c(C)c(C)n23)n(C)c1=O.
What is the InChIKey of 6-(2-methoxyphenyl)-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione?
The InChIKey is COFJGHKQVFBGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-6-11-23-18(26)16-17(22(4)20(23)27)21-19-24(12(2)13(3)25(16)19)14-9-7-8-10-15(14)28-5/h7-10H,6,11H2,1-5H3.
What are the key properties of 6-(2-methoxyphenyl)-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione?
6-(2-methoxyphenyl)-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione has a molecular weight of 381.44 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 16615630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).