6-(2-hydroxyethyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(2-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(3-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(4-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;2,4,7-trimethyl-6-pyridin-2-ylpurino[7,8-a]imidazole-1,3-dione;2,4,7-trimethyl-6-pyridin-3-ylpurino[7,8-a]imidazole-1,3-dione

C90H88N32O16 — CID 158346889

IUPAC6-(2-hydroxyethyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(2-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(3-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(4-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;2,4,7-trimethyl-6-pyridin-2-ylpurino[7,8-a]imidazole-1,3-dione;2,4,7-trimethyl-6-pyridin-3-ylpurino[7,8-a]imidazole-1,3-dione
SMILESCc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1ccc(O)cc1.Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1cccc(O)c1.Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1ccccc1O.Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1ccccn1.Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1cccnc1.Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCO
InChIInChI=1S/3C16H15N5O3.2C15H14N6O2.C12H15N5O3/c1-9-8-20-12-13(18(2)16(24)19(3)14(12)23)17-15(20)21(9)10-4-6-11(22)7-5-10;1-9-8-20-12-13(18(2)16(24)19(3)14(12)23)17-15(20)21(9)10-5-4-6-11(22)7-10;1-9-8-20-12-13(18(2)16(24)19(3)14(12)23)17-15(20)21(9)10-6-4-5-7-11(10)22;1-9-8-20-11-12(18(2)15(23)19(3)13(11)22)17-14(20)21(9)10-5-4-6-16-7-10;1-9-8-20-11-12(18(2)15(23)19(3)13(11)22)17-14(20)21(9)10-6-4-5-7-16-10;1-7-6-17-8-9(13-11(17)16(7)4-5-18)14(2)12(20)15(3)10(8)19/h3*4-8,22H,1-3H3;2*4-8H,1-3H3;6,18H,4-5H2,1-3H3
InChIKeyGRVLSENVWVUOIM-UHFFFAOYSA-N
MW1873.90 g/mol
LogP1.81
Rot. Bonds7

About 6-(2-hydroxyethyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(2-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(3-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(4-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;2,4,7-trimethyl-6-pyridin-2-ylpurino[7,8-a]imidazole-1,3-dione;2,4,7-trimethyl-6-pyridin-3-ylpurino[7,8-a]imidazole-1,3-dione

6-(2-hydroxyethyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(2-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(3-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(4-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;2,4,7-trimethyl-6-pyridin-2-ylpurino[7,8-a]imidazole-1,3-dione;2,4,7-trimethyl-6-pyridin-3-ylpurino[7,8-a]imidazole-1,3-dione (PubChem CID 158346889) has the molecular formula C90H88N32O16 and a molecular weight of 1873.90 g/mol. Its IUPAC name is 6-(2-hydroxyethyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(2-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(3-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(4-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;2,4,7-trimethyl-6-pyridin-2-ylpurino[7,8-a]imidazole-1,3-dione;2,4,7-trimethyl-6-pyridin-3-ylpurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name6-(2-hydroxyethyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(2-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(3-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(4-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;2,4,7-trimethyl-6-pyridin-2-ylpurino[7,8-a]imidazole-1,3-dione;2,4,7-trimethyl-6-pyridin-3-ylpurino[7,8-a]imidazole-1,3-dione
PubChem CID158346889
Molecular FormulaC90H88N32O16
Molecular Weight1873.90 g/mol
Exact Mass1872.71
IUPAC Name6-(2-hydroxyethyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(2-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(3-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(4-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;2,4,7-trimethyl-6-pyridin-2-ylpurino[7,8-a]imidazole-1,3-dione;2,4,7-trimethyl-6-pyridin-3-ylpurino[7,8-a]imidazole-1,3-dione
SMILESCc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1ccc(O)cc1.Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1cccc(O)c1.Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1ccccc1O.Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1ccccn1.Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1cccnc1.Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCO
InChIInChI=1S/3C16H15N5O3.2C15H14N6O2.C12H15N5O3/c1-9-8-20-12-13(18(2)16(24)19(3)14(12)23)17-15(20)21(9)10-4-6-11(22)7-5-10;1-9-8-20-12-13(18(2)16(24)19(3)14(12)23)17-15(20)21(9)10-5-4-6-11(22)7-10;1-9-8-20-12-13(18(2)16(24)19(3)14(12)23)17-15(20)21(9)10-6-4-5-7-11(10)22;1-9-8-20-11-12(18(2)15(23)19(3)13(11)22)17-14(20)21(9)10-5-4-6-16-7-10;1-9-8-20-11-12(18(2)15(23)19(3)13(11)22)17-14(20)21(9)10-6-4-5-7-16-10;1-7-6-17-8-9(13-11(17)16(7)4-5-18)14(2)12(20)15(3)10(8)19/h3*4-8,22H,1-3H3;2*4-8H,1-3H3;6,18H,4-5H2,1-3H3
InChIKeyGRVLSENVWVUOIM-UHFFFAOYSA-N
XLogP1.81
TPSA504.08 Ų
H-Bond Donors4
H-Bond Acceptors48
Rotatable Bonds7
Heavy Atoms138
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001873.90
LogP ≤ 51.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1048

Analyze 6-(2-hydroxyethyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(2-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(3-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(4-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;2,4,7-trimethyl-6-pyridin-2-ylpurino[7,8-a]imidazole-1,3-dione;2,4,7-trimethyl-6-pyridin-3-ylpurino[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

2-[(E)-but-2-enyl]-6-(2-hydroxyphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione;4,7-dimethyl-2-[(3-methylphenyl)methyl]-6-prop-2-enylpurino[7,8-a]imidazole-1,3-dione;6-[2-(hydroxymethyl)phenyl]-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione;6-(2-hydroxyphenyl)-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione;4,7,8-trimethyl-6-(2-methylphenyl)-2-prop-2-enylpurino[7,8-a]imidazole-1,3-dione
CID 157197475

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(2-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(3-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(4-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;2,4,7-trimethyl-6-pyridin-2-ylpurino[7,8-a]imidazole-1,3-dione;2,4,7-trimethyl-6-pyridin-3-ylpurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 6-(2-hydroxyethyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(2-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(3-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(4-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;2,4,7-trimethyl-6-pyridin-2-ylpurino[7,8-a]imidazole-1,3-dione;2,4,7-trimethyl-6-pyridin-3-ylpurino[7,8-a]imidazole-1,3-dione (CID 158346889) is 6-(2-hydroxyethyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(2-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(3-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(4-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;2,4,7-trimethyl-6-pyridin-2-ylpurino[7,8-a]imidazole-1,3-dione;2,4,7-trimethyl-6-pyridin-3-ylpurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 6-(2-hydroxyethyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(2-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(3-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(4-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;2,4,7-trimethyl-6-pyridin-2-ylpurino[7,8-a]imidazole-1,3-dione;2,4,7-trimethyl-6-pyridin-3-ylpurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 6-(2-hydroxyethyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(2-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(3-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(4-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;2,4,7-trimethyl-6-pyridin-2-ylpurino[7,8-a]imidazole-1,3-dione;2,4,7-trimethyl-6-pyridin-3-ylpurino[7,8-a]imidazole-1,3-dione is Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1ccc(O)cc1.Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1cccc(O)c1.Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1ccccc1O.Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1ccccn1.Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1cccnc1.Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCO.
What is the InChIKey of 6-(2-hydroxyethyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(2-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(3-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(4-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;2,4,7-trimethyl-6-pyridin-2-ylpurino[7,8-a]imidazole-1,3-dione;2,4,7-trimethyl-6-pyridin-3-ylpurino[7,8-a]imidazole-1,3-dione?
The InChIKey is GRVLSENVWVUOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C16H15N5O3.2C15H14N6O2.C12H15N5O3/c1-9-8-20-12-13(18(2)16(24)19(3)14(12)23)17-15(20)21(9)10-4-6-11(22)7-5-10;1-9-8-20-12-13(18(2)16(24)19(3)14(12)23)17-15(20)21(9)10-5-4-6-11(22)7-10;1-9-8-20-12-13(18(2)16(24)19(3)14(12)23)17-15(20)21(9)10-6-4-5-7-11(10)22;1-9-8-20-11-12(18(2)15(23)19(3)13(11)22)17-14(20)21(9)10-5-4-6-16-7-10;1-9-8-20-11-12(18(2)15(23)19(3)13(11)22)17-14(20)21(9)10-6-4-5-7-16-10;1-7-6-17-8-9(13-11(17)16(7)4-5-18)14(2)12(20)15(3)10(8)19/h3*4-8,22H,1-3H3;2*4-8H,1-3H3;6,18H,4-5H2,1-3H3.
What are the key properties of 6-(2-hydroxyethyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(2-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(3-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(4-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;2,4,7-trimethyl-6-pyridin-2-ylpurino[7,8-a]imidazole-1,3-dione;2,4,7-trimethyl-6-pyridin-3-ylpurino[7,8-a]imidazole-1,3-dione?
6-(2-hydroxyethyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(2-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(3-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(4-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;2,4,7-trimethyl-6-pyridin-2-ylpurino[7,8-a]imidazole-1,3-dione;2,4,7-trimethyl-6-pyridin-3-ylpurino[7,8-a]imidazole-1,3-dione has a molecular weight of 1873.90 g/mol, XLogP of 1.81, 7 rotatable bonds, 4 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(2-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(3-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;6-(4-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione;2,4,7-trimethyl-6-pyridin-2-ylpurino[7,8-a]imidazole-1,3-dione;2,4,7-trimethyl-6-pyridin-3-ylpurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 158346889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).