6-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione

C25H25N5O3 — CID 1256391

IUPAC6-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
SMILESCc1cc(O)c(C(C)C)cc1-n1c(-c2ccccc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12
InChIInChI=1S/C25H25N5O3/c1-14(2)17-12-18(15(3)11-20(17)31)30-19(16-9-7-6-8-10-16)13-29-21-22(26-24(29)30)27(4)25(33)28(5)23(21)32/h6-14,31H,1-5H3
InChIKeyGOXNVQSRJKPOOJ-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.48
Rot. Bonds3

About 6-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione

6-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione (PubChem CID 1256391) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is 6-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name6-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
PubChem CID1256391
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Name6-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
SMILESCc1cc(O)c(C(C)C)cc1-n1c(-c2ccccc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12
InChIInChI=1S/C25H25N5O3/c1-14(2)17-12-18(15(3)11-20(17)31)30-19(16-9-7-6-8-10-16)13-29-21-22(26-24(29)30)27(4)25(33)28(5)23(21)32/h6-14,31H,1-5H3
InChIKeyGOXNVQSRJKPOOJ-UHFFFAOYSA-N
XLogP3.48
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 6-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione (CID 1256391) is 6-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 6-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 6-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione is Cc1cc(O)c(C(C)C)cc1-n1c(-c2ccccc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12.
What is the InChIKey of 6-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione?
The InChIKey is GOXNVQSRJKPOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-14(2)17-12-18(15(3)11-20(17)31)30-19(16-9-7-6-8-10-16)13-29-21-22(26-24(29)30)27(4)25(33)28(5)23(21)32/h6-14,31H,1-5H3.
What are the key properties of 6-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione?
6-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione has a molecular weight of 443.51 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 1256391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).