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

C14H19N5O5 — CID 647575

IUPACethyl 2-(3-methyl-8-morpholin-4-yl-2,6-dioxopurin-7-yl)acetate
SMILESCCOC(=O)Cn1c(N2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C14H19N5O5/c1-3-24-9(20)8-19-10-11(17(2)14(22)16-12(10)21)15-13(19)18-4-6-23-7-5-18/h3-8H2,1-2H3,(H,16,21,22)
InChIKeyAWYHIRFKAYAAEU-UHFFFAOYSA-N
MW337.34 g/mol
LogP-1.18
Rot. Bonds4

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

ethyl 2-(3-methyl-8-morpholin-4-yl-2,6-dioxopurin-7-yl)acetate (PubChem CID 647575) has the molecular formula C14H19N5O5 and a molecular weight of 337.34 g/mol. Its IUPAC name is ethyl 2-(3-methyl-8-morpholin-4-yl-2,6-dioxopurin-7-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-methyl-8-morpholin-4-yl-2,6-dioxopurin-7-yl)acetate
PubChem CID647575
Molecular FormulaC14H19N5O5
Molecular Weight337.34 g/mol
Exact Mass337.14
IUPAC Nameethyl 2-(3-methyl-8-morpholin-4-yl-2,6-dioxopurin-7-yl)acetate
SMILESCCOC(=O)Cn1c(N2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C14H19N5O5/c1-3-24-9(20)8-19-10-11(17(2)14(22)16-12(10)21)15-13(19)18-4-6-23-7-5-18/h3-8H2,1-2H3,(H,16,21,22)
InChIKeyAWYHIRFKAYAAEU-UHFFFAOYSA-N
XLogP-1.18
TPSA111.45 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 5-1.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methyl-8-morpholin-4-yl-2,6-dioxopurin-7-yl)acetate?
The IUPAC name of ethyl 2-(3-methyl-8-morpholin-4-yl-2,6-dioxopurin-7-yl)acetate (CID 647575) is ethyl 2-(3-methyl-8-morpholin-4-yl-2,6-dioxopurin-7-yl)acetate.
What is the SMILES notation for ethyl 2-(3-methyl-8-morpholin-4-yl-2,6-dioxopurin-7-yl)acetate?
The canonical SMILES for ethyl 2-(3-methyl-8-morpholin-4-yl-2,6-dioxopurin-7-yl)acetate is CCOC(=O)Cn1c(N2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C.
What is the InChIKey of ethyl 2-(3-methyl-8-morpholin-4-yl-2,6-dioxopurin-7-yl)acetate?
The InChIKey is AWYHIRFKAYAAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O5/c1-3-24-9(20)8-19-10-11(17(2)14(22)16-12(10)21)15-13(19)18-4-6-23-7-5-18/h3-8H2,1-2H3,(H,16,21,22).
What are the key properties of ethyl 2-(3-methyl-8-morpholin-4-yl-2,6-dioxopurin-7-yl)acetate?
ethyl 2-(3-methyl-8-morpholin-4-yl-2,6-dioxopurin-7-yl)acetate has a molecular weight of 337.34 g/mol, XLogP of -1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methyl-8-morpholin-4-yl-2,6-dioxopurin-7-yl)acetate is sourced from PubChem (CID 647575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).