6-ethyl-4,7,8-trimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione

C18H26N6O3 — CID 3163158

IUPAC6-ethyl-4,7,8-trimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione
SMILESCCn1c(C)c(C)n2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc12
InChIInChI=1S/C18H26N6O3/c1-5-22-12(2)13(3)24-14-15(19-17(22)24)20(4)18(26)23(16(14)25)7-6-21-8-10-27-11-9-21/h5-11H2,1-4H3
InChIKeyUXPJSPOSGVXRDI-UHFFFAOYSA-N
MW374.45 g/mol
LogP0.12
Rot. Bonds4

About 6-ethyl-4,7,8-trimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione

6-ethyl-4,7,8-trimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione (PubChem CID 3163158) has the molecular formula C18H26N6O3 and a molecular weight of 374.45 g/mol. Its IUPAC name is 6-ethyl-4,7,8-trimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name6-ethyl-4,7,8-trimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione
PubChem CID3163158
Molecular FormulaC18H26N6O3
Molecular Weight374.45 g/mol
Exact Mass374.21
IUPAC Name6-ethyl-4,7,8-trimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione
SMILESCCn1c(C)c(C)n2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc12
InChIInChI=1S/C18H26N6O3/c1-5-22-12(2)13(3)24-14-15(19-17(22)24)20(4)18(26)23(16(14)25)7-6-21-8-10-27-11-9-21/h5-11H2,1-4H3
InChIKeyUXPJSPOSGVXRDI-UHFFFAOYSA-N
XLogP0.12
TPSA78.70 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4,7,8-trimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 6-ethyl-4,7,8-trimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione (CID 3163158) is 6-ethyl-4,7,8-trimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 6-ethyl-4,7,8-trimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 6-ethyl-4,7,8-trimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione is CCn1c(C)c(C)n2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc12.
What is the InChIKey of 6-ethyl-4,7,8-trimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione?
The InChIKey is UXPJSPOSGVXRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O3/c1-5-22-12(2)13(3)24-14-15(19-17(22)24)20(4)18(26)23(16(14)25)7-6-21-8-10-27-11-9-21/h5-11H2,1-4H3.
What are the key properties of 6-ethyl-4,7,8-trimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione?
6-ethyl-4,7,8-trimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione has a molecular weight of 374.45 g/mol, XLogP of 0.12, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4,7,8-trimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 3163158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).