2,4,7,8-tetramethyl-6-(2-phenylmethoxyphenyl)purino[7,8-a]imidazole-1,3-dione

C24H23N5O3 — CID 16811756

IUPAC2,4,7,8-tetramethyl-6-(2-phenylmethoxyphenyl)purino[7,8-a]imidazole-1,3-dione
SMILESCc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1ccccc1OCc1ccccc1
InChIInChI=1S/C24H23N5O3/c1-15-16(2)29-20-21(26(3)24(31)27(4)22(20)30)25-23(29)28(15)18-12-8-9-13-19(18)32-14-17-10-6-5-7-11-17/h5-13H,14H2,1-4H3
InChIKeyOLIJMXBOPWMTLB-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.87
Rot. Bonds4

About 2,4,7,8-tetramethyl-6-(2-phenylmethoxyphenyl)purino[7,8-a]imidazole-1,3-dione

2,4,7,8-tetramethyl-6-(2-phenylmethoxyphenyl)purino[7,8-a]imidazole-1,3-dione (PubChem CID 16811756) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 2,4,7,8-tetramethyl-6-(2-phenylmethoxyphenyl)purino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name2,4,7,8-tetramethyl-6-(2-phenylmethoxyphenyl)purino[7,8-a]imidazole-1,3-dione
PubChem CID16811756
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name2,4,7,8-tetramethyl-6-(2-phenylmethoxyphenyl)purino[7,8-a]imidazole-1,3-dione
SMILESCc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1ccccc1OCc1ccccc1
InChIInChI=1S/C24H23N5O3/c1-15-16(2)29-20-21(26(3)24(31)27(4)22(20)30)25-23(29)28(15)18-12-8-9-13-19(18)32-14-17-10-6-5-7-11-17/h5-13H,14H2,1-4H3
InChIKeyOLIJMXBOPWMTLB-UHFFFAOYSA-N
XLogP2.87
TPSA75.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-(2-methoxyphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione
CID 3165145
6-(2-ethoxyphenyl)-4,7,8-trimethyl-2-(2-phenylethyl)purino[7,8-a]imidazole-1,3-dione
CID 16623952
6-(2-methoxyphenyl)-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione
CID 16615630
2-[(4-fluorophenyl)methyl]-6-(2-methoxyphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 16623898
2-(3-hydroxypropyl)-6-(2-methoxyphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 4888155
6-(4-ethylphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione
CID 4972526
2-ethyl-6-(2-ethylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 16615744
2-benzyl-6-(2,4-dimethylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 16811596
2,4,7-trimethyl-6-[2-(2-methylpropoxy)phenyl]purino[7,8-a]imidazole-1,3-dione
CID 7586077
methyl 2-[6-(2-chlorophenyl)-4,7,8-trimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]acetate
CID 6492636
4,7,8-trimethyl-6-(2-methylphenyl)-2-prop-2-enylpurino[7,8-a]imidazole-1,3-dione
CID 16798013
2-butyl-6-(2-hydroxyphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 16610339

Frequently Asked Questions

What is the IUPAC name of 2,4,7,8-tetramethyl-6-(2-phenylmethoxyphenyl)purino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 2,4,7,8-tetramethyl-6-(2-phenylmethoxyphenyl)purino[7,8-a]imidazole-1,3-dione (CID 16811756) is 2,4,7,8-tetramethyl-6-(2-phenylmethoxyphenyl)purino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 2,4,7,8-tetramethyl-6-(2-phenylmethoxyphenyl)purino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 2,4,7,8-tetramethyl-6-(2-phenylmethoxyphenyl)purino[7,8-a]imidazole-1,3-dione is Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1ccccc1OCc1ccccc1.
What is the InChIKey of 2,4,7,8-tetramethyl-6-(2-phenylmethoxyphenyl)purino[7,8-a]imidazole-1,3-dione?
The InChIKey is OLIJMXBOPWMTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-15-16(2)29-20-21(26(3)24(31)27(4)22(20)30)25-23(29)28(15)18-12-8-9-13-19(18)32-14-17-10-6-5-7-11-17/h5-13H,14H2,1-4H3.
What are the key properties of 2,4,7,8-tetramethyl-6-(2-phenylmethoxyphenyl)purino[7,8-a]imidazole-1,3-dione?
2,4,7,8-tetramethyl-6-(2-phenylmethoxyphenyl)purino[7,8-a]imidazole-1,3-dione has a molecular weight of 429.48 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,7,8-tetramethyl-6-(2-phenylmethoxyphenyl)purino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 16811756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).