2-[6-(acetyloxymethyl)-3-methyl-2,4-dioxopyrimidin-1-yl]ethyl acetate

C12H16N2O6 — CID 850979

IUPAC2-[6-(acetyloxymethyl)-3-methyl-2,4-dioxopyrimidin-1-yl]ethyl acetate
SMILESCC(=O)OCCn1c(COC(C)=O)cc(=O)n(C)c1=O
InChIInChI=1S/C12H16N2O6/c1-8(15)19-5-4-14-10(7-20-9(2)16)6-11(17)13(3)12(14)18/h6H,4-5,7H2,1-3H3
InChIKeyDCAYTDRIAYUZSH-UHFFFAOYSA-N
MW284.27 g/mol
LogP-0.83
Rot. Bonds5

About 2-[6-(acetyloxymethyl)-3-methyl-2,4-dioxopyrimidin-1-yl]ethyl acetate

2-[6-(acetyloxymethyl)-3-methyl-2,4-dioxopyrimidin-1-yl]ethyl acetate (PubChem CID 850979) has the molecular formula C12H16N2O6 and a molecular weight of 284.27 g/mol. Its IUPAC name is 2-[6-(acetyloxymethyl)-3-methyl-2,4-dioxopyrimidin-1-yl]ethyl acetate.

Molecular Properties

Compound Name2-[6-(acetyloxymethyl)-3-methyl-2,4-dioxopyrimidin-1-yl]ethyl acetate
PubChem CID850979
Molecular FormulaC12H16N2O6
Molecular Weight284.27 g/mol
Exact Mass284.10
IUPAC Name2-[6-(acetyloxymethyl)-3-methyl-2,4-dioxopyrimidin-1-yl]ethyl acetate
SMILESCC(=O)OCCn1c(COC(C)=O)cc(=O)n(C)c1=O
InChIInChI=1S/C12H16N2O6/c1-8(15)19-5-4-14-10(7-20-9(2)16)6-11(17)13(3)12(14)18/h6H,4-5,7H2,1-3H3
InChIKeyDCAYTDRIAYUZSH-UHFFFAOYSA-N
XLogP-0.83
TPSA96.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 5-0.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)methyl acetate
CID 2843129
1,3-Dimethyl-6-dimethoxymethyluracil
CID 453098
Orotic acid, 1,3-dimethyl-, methyl ester
CID 557715
2-Butenedioic acid,4-dioxopyrimidin-1-yl]-, diethyl ester, cis-
CID 5468905
Uracil,2-bis(ethoxycarbonyl)ethenyl]-3-propynyl-, (Z)-
CID 5469884
Thymine,3-bis[1,2-bis(ethoxycarbonyl)ethenyl]-
CID 6382533
Ethyl 1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
CID 130005141
Ethyl 1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylate
CID 362785
1,3-Bis(1-(allyloxy)ethyl)-6-methyl-2,4(1H,3H)-pyrimidinedione
CID 375737
2-Butenedioic acid,4-dioxopyrimidin-1-yl-, diethyl ester, (E)-
CID 5468904
Uracil,2-bis(ethoxycarbonyl)ethenyl]-3-(2-propenyl)-, trans
CID 5468906
diethyl (E)-2-(5-methyl-2,4-dioxo-3-prop-2-enylpyrimidin-1-yl)but-2-enedioate
CID 5468907

Frequently Asked Questions

What is the IUPAC name of 2-[6-(acetyloxymethyl)-3-methyl-2,4-dioxopyrimidin-1-yl]ethyl acetate?
The IUPAC name of 2-[6-(acetyloxymethyl)-3-methyl-2,4-dioxopyrimidin-1-yl]ethyl acetate (CID 850979) is 2-[6-(acetyloxymethyl)-3-methyl-2,4-dioxopyrimidin-1-yl]ethyl acetate.
What is the SMILES notation for 2-[6-(acetyloxymethyl)-3-methyl-2,4-dioxopyrimidin-1-yl]ethyl acetate?
The canonical SMILES for 2-[6-(acetyloxymethyl)-3-methyl-2,4-dioxopyrimidin-1-yl]ethyl acetate is CC(=O)OCCn1c(COC(C)=O)cc(=O)n(C)c1=O.
What is the InChIKey of 2-[6-(acetyloxymethyl)-3-methyl-2,4-dioxopyrimidin-1-yl]ethyl acetate?
The InChIKey is DCAYTDRIAYUZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O6/c1-8(15)19-5-4-14-10(7-20-9(2)16)6-11(17)13(3)12(14)18/h6H,4-5,7H2,1-3H3.
What are the key properties of 2-[6-(acetyloxymethyl)-3-methyl-2,4-dioxopyrimidin-1-yl]ethyl acetate?
2-[6-(acetyloxymethyl)-3-methyl-2,4-dioxopyrimidin-1-yl]ethyl acetate has a molecular weight of 284.27 g/mol, XLogP of -0.83, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(acetyloxymethyl)-3-methyl-2,4-dioxopyrimidin-1-yl]ethyl acetate is sourced from PubChem (CID 850979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).