6-[(2R)-2-hydroxy-2-phenylethyl]-7-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione

C24H23N5O4 — CID 1046095

IUPAC6-[(2R)-2-hydroxy-2-phenylethyl]-7-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
SMILESCOc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2C[C@H](O)c2ccccc2)cc1
InChIInChI=1S/C24H23N5O4/c1-26-21-20(22(31)27(2)24(26)32)29-13-18(15-9-11-17(33-3)12-10-15)28(23(29)25-21)14-19(30)16-7-5-4-6-8-16/h4-13,19,30H,14H2,1-3H3/t19-/m0/s1
InChIKeyOHXRBZNWPNVGFW-IBGZPJMESA-N
MW445.48 g/mol
LogP2.10
Rot. Bonds5

About 6-[(2R)-2-hydroxy-2-phenylethyl]-7-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione

6-[(2R)-2-hydroxy-2-phenylethyl]-7-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione (PubChem CID 1046095) has the molecular formula C24H23N5O4 and a molecular weight of 445.48 g/mol. Its IUPAC name is 6-[(2R)-2-hydroxy-2-phenylethyl]-7-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name6-[(2R)-2-hydroxy-2-phenylethyl]-7-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
PubChem CID1046095
Molecular FormulaC24H23N5O4
Molecular Weight445.48 g/mol
Exact Mass445.18
IUPAC Name6-[(2R)-2-hydroxy-2-phenylethyl]-7-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
SMILESCOc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2C[C@H](O)c2ccccc2)cc1
InChIInChI=1S/C24H23N5O4/c1-26-21-20(22(31)27(2)24(26)32)29-13-18(15-9-11-17(33-3)12-10-15)28(23(29)25-21)14-19(30)16-7-5-4-6-8-16/h4-13,19,30H,14H2,1-3H3/t19-/m0/s1
InChIKeyOHXRBZNWPNVGFW-IBGZPJMESA-N
XLogP2.10
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[(2R)-2-hydroxy-2-phenylethyl]-7-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione with MolForge

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Related Compounds

6-(2-hydroxy-2-phenylethyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 3738407
7-(4-bromophenyl)-6-(2-hydroxy-2-phenylethyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 3632003
6-(3-hydroxypropyl)-7-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 3295685
6-ethyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 3162690
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
6-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 1044492
6-(2-methoxyphenyl)-7-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 4655266
8-amino-7-[(2R)-2-hydroxy-2-phenylethyl]-1,3-dimethylpurine-2,6-dione
CID 30842740
6-(4-methoxyphenyl)-2,4-dimethyl-7-naphthalen-2-ylpurino[7,8-a]imidazole-1,3-dione
CID 4987572
8-ethyl-6-[(2S)-2-hydroxy-2-phenylethyl]-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 1205188
7-[(2R)-2-hydroxy-2-phenylethyl]-1,3-dimethyl-8-(2-methylpropylamino)purine-2,6-dione
CID 30842714

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-hydroxy-2-phenylethyl]-7-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 6-[(2R)-2-hydroxy-2-phenylethyl]-7-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione (CID 1046095) is 6-[(2R)-2-hydroxy-2-phenylethyl]-7-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 6-[(2R)-2-hydroxy-2-phenylethyl]-7-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 6-[(2R)-2-hydroxy-2-phenylethyl]-7-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione is COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2C[C@H](O)c2ccccc2)cc1.
What is the InChIKey of 6-[(2R)-2-hydroxy-2-phenylethyl]-7-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione?
The InChIKey is OHXRBZNWPNVGFW-IBGZPJMESA-N. The full InChI is InChI=1S/C24H23N5O4/c1-26-21-20(22(31)27(2)24(26)32)29-13-18(15-9-11-17(33-3)12-10-15)28(23(29)25-21)14-19(30)16-7-5-4-6-8-16/h4-13,19,30H,14H2,1-3H3/t19-/m0/s1.
What are the key properties of 6-[(2R)-2-hydroxy-2-phenylethyl]-7-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione?
6-[(2R)-2-hydroxy-2-phenylethyl]-7-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione has a molecular weight of 445.48 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-hydroxy-2-phenylethyl]-7-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 1046095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).