(1,3-dimethyl-2,6-dioxopurin-7-yl)methyl ethyl carbonate

C11H14N4O5 — CID 23455264

IUPAC(1,3-dimethyl-2,6-dioxopurin-7-yl)methyl ethyl carbonate
SMILESCCOC(=O)OCn1cnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C11H14N4O5/c1-4-19-11(18)20-6-15-5-12-8-7(15)9(16)14(3)10(17)13(8)2/h5H,4,6H2,1-3H3
InChIKeyCRROIRSDBVLXGH-UHFFFAOYSA-N
MW282.26 g/mol
LogP-0.44
Rot. Bonds3

About (1,3-dimethyl-2,6-dioxopurin-7-yl)methyl ethyl carbonate

(1,3-dimethyl-2,6-dioxopurin-7-yl)methyl ethyl carbonate (PubChem CID 23455264) has the molecular formula C11H14N4O5 and a molecular weight of 282.26 g/mol. Its IUPAC name is (1,3-dimethyl-2,6-dioxopurin-7-yl)methyl ethyl carbonate.

Molecular Properties

Compound Name(1,3-dimethyl-2,6-dioxopurin-7-yl)methyl ethyl carbonate
PubChem CID23455264
Molecular FormulaC11H14N4O5
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name(1,3-dimethyl-2,6-dioxopurin-7-yl)methyl ethyl carbonate
SMILESCCOC(=O)OCn1cnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C11H14N4O5/c1-4-19-11(18)20-6-15-5-12-8-7(15)9(16)14(3)10(17)13(8)2/h5H,4,6H2,1-3H3
InChIKeyCRROIRSDBVLXGH-UHFFFAOYSA-N
XLogP-0.44
TPSA97.35 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

ethyl 4-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]piperazine-1-carboxylate
CID 1116251
ethyl 4-[(1,3-dimethyl-2,6-dioxopurin-7-yl)methyl]piperazine-1-carboxylate
CID 4860140
(1,3-dimethyl-2,6-dioxopurin-7-yl)methyl pyridine-2-carboxylate
CID 23455310
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N'-hydroxyethanimidamide
CID 3057490
ethane;7-ethyl-1,3-dimethylpurine-2,6-dione
CID 145188731
7-(aminomethyl)-1,3-dimethylpurine-2,6-dione
CID 22105142
ethyl (2S)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanoate
CID 26433996
2-oxopropyl 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
CID 4692441
1,3-dimethyl-7-(3-oxobutyl)purine-2,6-dione
CID 10634405
4-[(1,3-dimethyl-2,6-dioxopurin-7-yl)methoxy]-N,N-dimethylbutanamide
CID 23455270
7-(2-aminoethyl)-1,3-dimethylpurine-2,6-dione;hydrochloride
CID 2965224
diethyl 5-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzene-1,3-dicarboxylate
CID 16550938

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethyl-2,6-dioxopurin-7-yl)methyl ethyl carbonate?
The IUPAC name of (1,3-dimethyl-2,6-dioxopurin-7-yl)methyl ethyl carbonate (CID 23455264) is (1,3-dimethyl-2,6-dioxopurin-7-yl)methyl ethyl carbonate.
What is the SMILES notation for (1,3-dimethyl-2,6-dioxopurin-7-yl)methyl ethyl carbonate?
The canonical SMILES for (1,3-dimethyl-2,6-dioxopurin-7-yl)methyl ethyl carbonate is CCOC(=O)OCn1cnc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of (1,3-dimethyl-2,6-dioxopurin-7-yl)methyl ethyl carbonate?
The InChIKey is CRROIRSDBVLXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O5/c1-4-19-11(18)20-6-15-5-12-8-7(15)9(16)14(3)10(17)13(8)2/h5H,4,6H2,1-3H3.
What are the key properties of (1,3-dimethyl-2,6-dioxopurin-7-yl)methyl ethyl carbonate?
(1,3-dimethyl-2,6-dioxopurin-7-yl)methyl ethyl carbonate has a molecular weight of 282.26 g/mol, XLogP of -0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-2,6-dioxopurin-7-yl)methyl ethyl carbonate is sourced from PubChem (CID 23455264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).