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

C16H22N6O3 — CID 16810086

IUPAC4,6,7-trimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione
SMILESCc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1C
InChIInChI=1S/C16H22N6O3/c1-11-10-22-12-13(17-15(22)18(11)2)19(3)16(24)21(14(12)23)5-4-20-6-8-25-9-7-20/h10H,4-9H2,1-3H3
InChIKeyHEQIMLLAXTWMGR-UHFFFAOYSA-N
MW346.39 g/mol
LogP-0.67
Rot. Bonds3

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

4,6,7-trimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione (PubChem CID 16810086) has the molecular formula C16H22N6O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4,6,7-trimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name4,6,7-trimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione
PubChem CID16810086
Molecular FormulaC16H22N6O3
Molecular Weight346.39 g/mol
Exact Mass346.18
IUPAC Name4,6,7-trimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione
SMILESCc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1C
InChIInChI=1S/C16H22N6O3/c1-11-10-22-12-13(17-15(22)18(11)2)19(3)16(24)21(14(12)23)5-4-20-6-8-25-9-7-20/h10H,4-9H2,1-3H3
InChIKeyHEQIMLLAXTWMGR-UHFFFAOYSA-N
XLogP-0.67
TPSA78.70 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 5-0.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4,6,7-trimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 4,6,7-trimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione (CID 16810086) is 4,6,7-trimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 4,6,7-trimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 4,6,7-trimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione is Cc1cn2c3c(=O)n(CCN4CCOCC4)c(=O)n(C)c3nc2n1C.
What is the InChIKey of 4,6,7-trimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione?
The InChIKey is HEQIMLLAXTWMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O3/c1-11-10-22-12-13(17-15(22)18(11)2)19(3)16(24)21(14(12)23)5-4-20-6-8-25-9-7-20/h10H,4-9H2,1-3H3.
What are the key properties of 4,6,7-trimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione?
4,6,7-trimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione has a molecular weight of 346.39 g/mol, XLogP of -0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7-trimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 16810086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).