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

C16H23N5O5 — CID 978628

IUPACethyl 2-[1,3-dimethyl-8-(morpholin-4-ylmethyl)-2,6-dioxopurin-7-yl]acetate
SMILESCCOC(=O)Cn1c(CN2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C16H23N5O5/c1-4-26-12(22)10-21-11(9-20-5-7-25-8-6-20)17-14-13(21)15(23)19(3)16(24)18(14)2/h4-10H2,1-3H3
InChIKeyWYOZRRPAKLQHIC-UHFFFAOYSA-N
MW365.39 g/mol
LogP-1.17
Rot. Bonds5

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

ethyl 2-[1,3-dimethyl-8-(morpholin-4-ylmethyl)-2,6-dioxopurin-7-yl]acetate (PubChem CID 978628) has the molecular formula C16H23N5O5 and a molecular weight of 365.39 g/mol. Its IUPAC name is ethyl 2-[1,3-dimethyl-8-(morpholin-4-ylmethyl)-2,6-dioxopurin-7-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1,3-dimethyl-8-(morpholin-4-ylmethyl)-2,6-dioxopurin-7-yl]acetate
PubChem CID978628
Molecular FormulaC16H23N5O5
Molecular Weight365.39 g/mol
Exact Mass365.17
IUPAC Nameethyl 2-[1,3-dimethyl-8-(morpholin-4-ylmethyl)-2,6-dioxopurin-7-yl]acetate
SMILESCCOC(=O)Cn1c(CN2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C16H23N5O5/c1-4-26-12(22)10-21-11(9-20-5-7-25-8-6-20)17-14-13(21)15(23)19(3)16(24)18(14)2/h4-10H2,1-3H3
InChIKeyWYOZRRPAKLQHIC-UHFFFAOYSA-N
XLogP-1.17
TPSA100.59 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
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-[1,3-dimethyl-8-(morpholin-4-ylmethyl)-2,6-dioxopurin-7-yl]acetate?
The IUPAC name of ethyl 2-[1,3-dimethyl-8-(morpholin-4-ylmethyl)-2,6-dioxopurin-7-yl]acetate (CID 978628) is ethyl 2-[1,3-dimethyl-8-(morpholin-4-ylmethyl)-2,6-dioxopurin-7-yl]acetate.
What is the SMILES notation for ethyl 2-[1,3-dimethyl-8-(morpholin-4-ylmethyl)-2,6-dioxopurin-7-yl]acetate?
The canonical SMILES for ethyl 2-[1,3-dimethyl-8-(morpholin-4-ylmethyl)-2,6-dioxopurin-7-yl]acetate is CCOC(=O)Cn1c(CN2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of ethyl 2-[1,3-dimethyl-8-(morpholin-4-ylmethyl)-2,6-dioxopurin-7-yl]acetate?
The InChIKey is WYOZRRPAKLQHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O5/c1-4-26-12(22)10-21-11(9-20-5-7-25-8-6-20)17-14-13(21)15(23)19(3)16(24)18(14)2/h4-10H2,1-3H3.
What are the key properties of ethyl 2-[1,3-dimethyl-8-(morpholin-4-ylmethyl)-2,6-dioxopurin-7-yl]acetate?
ethyl 2-[1,3-dimethyl-8-(morpholin-4-ylmethyl)-2,6-dioxopurin-7-yl]acetate has a molecular weight of 365.39 g/mol, XLogP of -1.17, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1,3-dimethyl-8-(morpholin-4-ylmethyl)-2,6-dioxopurin-7-yl]acetate is sourced from PubChem (CID 978628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).