ethyl 2-(3,7-dimethyl-8-morpholin-4-yl-2,6-dioxopurin-1-yl)acetate

C15H21N5O5 — CID 1099016

IUPACethyl 2-(3,7-dimethyl-8-morpholin-4-yl-2,6-dioxopurin-1-yl)acetate
SMILESCCOC(=O)Cn1c(=O)c2c(nc(N3CCOCC3)n2C)n(C)c1=O
InChIInChI=1S/C15H21N5O5/c1-4-25-10(21)9-20-13(22)11-12(18(3)15(20)23)16-14(17(11)2)19-5-7-24-8-6-19/h4-9H2,1-3H3
InChIKeyGXHBBVOBKJURCM-UHFFFAOYSA-N
MW351.36 g/mol
LogP-1.17
Rot. Bonds4

About ethyl 2-(3,7-dimethyl-8-morpholin-4-yl-2,6-dioxopurin-1-yl)acetate

ethyl 2-(3,7-dimethyl-8-morpholin-4-yl-2,6-dioxopurin-1-yl)acetate (PubChem CID 1099016) has the molecular formula C15H21N5O5 and a molecular weight of 351.36 g/mol. Its IUPAC name is ethyl 2-(3,7-dimethyl-8-morpholin-4-yl-2,6-dioxopurin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3,7-dimethyl-8-morpholin-4-yl-2,6-dioxopurin-1-yl)acetate
PubChem CID1099016
Molecular FormulaC15H21N5O5
Molecular Weight351.36 g/mol
Exact Mass351.15
IUPAC Nameethyl 2-(3,7-dimethyl-8-morpholin-4-yl-2,6-dioxopurin-1-yl)acetate
SMILESCCOC(=O)Cn1c(=O)c2c(nc(N3CCOCC3)n2C)n(C)c1=O
InChIInChI=1S/C15H21N5O5/c1-4-25-10(21)9-20-13(22)11-12(18(3)15(20)23)16-14(17(11)2)19-5-7-24-8-6-19/h4-9H2,1-3H3
InChIKeyGXHBBVOBKJURCM-UHFFFAOYSA-N
XLogP-1.17
TPSA100.59 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 5-1.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,7-dimethyl-8-morpholin-4-yl-2,6-dioxopurin-1-yl)acetate?
The IUPAC name of ethyl 2-(3,7-dimethyl-8-morpholin-4-yl-2,6-dioxopurin-1-yl)acetate (CID 1099016) is ethyl 2-(3,7-dimethyl-8-morpholin-4-yl-2,6-dioxopurin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(3,7-dimethyl-8-morpholin-4-yl-2,6-dioxopurin-1-yl)acetate?
The canonical SMILES for ethyl 2-(3,7-dimethyl-8-morpholin-4-yl-2,6-dioxopurin-1-yl)acetate is CCOC(=O)Cn1c(=O)c2c(nc(N3CCOCC3)n2C)n(C)c1=O.
What is the InChIKey of ethyl 2-(3,7-dimethyl-8-morpholin-4-yl-2,6-dioxopurin-1-yl)acetate?
The InChIKey is GXHBBVOBKJURCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O5/c1-4-25-10(21)9-20-13(22)11-12(18(3)15(20)23)16-14(17(11)2)19-5-7-24-8-6-19/h4-9H2,1-3H3.
What are the key properties of ethyl 2-(3,7-dimethyl-8-morpholin-4-yl-2,6-dioxopurin-1-yl)acetate?
ethyl 2-(3,7-dimethyl-8-morpholin-4-yl-2,6-dioxopurin-1-yl)acetate has a molecular weight of 351.36 g/mol, XLogP of -1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,7-dimethyl-8-morpholin-4-yl-2,6-dioxopurin-1-yl)acetate is sourced from PubChem (CID 1099016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).