6-(2-hydroxyethyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione

C13H17N5O3 — CID 4912465

IUPAC6-(2-hydroxyethyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione
SMILESCc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCO
InChIInChI=1S/C13H17N5O3/c1-7-8(2)18-9-10(14-12(18)17(7)5-6-19)15(3)13(21)16(4)11(9)20/h19H,5-6H2,1-4H3
InChIKeyPCNRDEGEIGXQEN-UHFFFAOYSA-N
MW291.31 g/mol
LogP-0.70
Rot. Bonds2

About 6-(2-hydroxyethyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione

6-(2-hydroxyethyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione (PubChem CID 4912465) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 6-(2-hydroxyethyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name6-(2-hydroxyethyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione
PubChem CID4912465
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name6-(2-hydroxyethyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione
SMILESCc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCO
InChIInChI=1S/C13H17N5O3/c1-7-8(2)18-9-10(14-12(18)17(7)5-6-19)15(3)13(21)16(4)11(9)20/h19H,5-6H2,1-4H3
InChIKeyPCNRDEGEIGXQEN-UHFFFAOYSA-N
XLogP-0.70
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-[2-(2-hydroxyethoxy)ethyl]-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione
CID 3162673
6-[2-(azepan-1-yl)ethyl]-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione
CID 16812231
6-[(E)-but-2-enyl]-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione
CID 7585818
ethyl 2-(2,4,7,8-tetramethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl)acetate
CID 6485010
2-[(2,6-dichlorophenyl)methyl]-6-(2-hydroxyethyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 16614365
4,7,8-trimethyl-2,6-bis(3-methylbutyl)purino[7,8-a]imidazole-1,3-dione
CID 7214203
6-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione
CID 40790174
4,7,8-trimethyl-2,6-bis(prop-2-enyl)purino[7,8-a]imidazole-1,3-dione
CID 3163114
6-(2-hydroxyethyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 709796
6-butyl-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione
CID 7520700
4,7,8-trimethyl-6-(2-methylpropyl)-2-propylpurino[7,8-a]imidazole-1,3-dione
CID 16811953
6-ethyl-4,7,8-trimethyl-2-(3-oxobutan-2-yl)purino[7,8-a]imidazole-1,3-dione
CID 6484618

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 6-(2-hydroxyethyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione (CID 4912465) is 6-(2-hydroxyethyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 6-(2-hydroxyethyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 6-(2-hydroxyethyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione is Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCO.
What is the InChIKey of 6-(2-hydroxyethyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione?
The InChIKey is PCNRDEGEIGXQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-7-8(2)18-9-10(14-12(18)17(7)5-6-19)15(3)13(21)16(4)11(9)20/h19H,5-6H2,1-4H3.
What are the key properties of 6-(2-hydroxyethyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione?
6-(2-hydroxyethyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione has a molecular weight of 291.31 g/mol, XLogP of -0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 4912465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).