2-[1,3-bis(methoxymethyl)-2,4-dioxopyrimidin-5-yl]ethyl acetate

C12H18N2O6 — CID 57394208

IUPAC2-[1,3-bis(methoxymethyl)-2,4-dioxopyrimidin-5-yl]ethyl acetate
SMILESCOCn1cc(CCOC(C)=O)c(=O)n(COC)c1=O
InChIInChI=1S/C12H18N2O6/c1-9(15)20-5-4-10-6-13(7-18-2)12(17)14(8-19-3)11(10)16/h6H,4-5,7-8H2,1-3H3
InChIKeyMKIYYOWZCRVQRT-UHFFFAOYSA-N
MW286.28 g/mol
LogP-0.68
Rot. Bonds7

About 2-[1,3-bis(methoxymethyl)-2,4-dioxopyrimidin-5-yl]ethyl acetate

2-[1,3-bis(methoxymethyl)-2,4-dioxopyrimidin-5-yl]ethyl acetate (PubChem CID 57394208) has the molecular formula C12H18N2O6 and a molecular weight of 286.28 g/mol. Its IUPAC name is 2-[1,3-bis(methoxymethyl)-2,4-dioxopyrimidin-5-yl]ethyl acetate.

Molecular Properties

Compound Name2-[1,3-bis(methoxymethyl)-2,4-dioxopyrimidin-5-yl]ethyl acetate
PubChem CID57394208
Molecular FormulaC12H18N2O6
Molecular Weight286.28 g/mol
Exact Mass286.12
IUPAC Name2-[1,3-bis(methoxymethyl)-2,4-dioxopyrimidin-5-yl]ethyl acetate
SMILESCOCn1cc(CCOC(C)=O)c(=O)n(COC)c1=O
InChIInChI=1S/C12H18N2O6/c1-9(15)20-5-4-10-6-13(7-18-2)12(17)14(8-19-3)11(10)16/h6H,4-5,7-8H2,1-3H3
InChIKeyMKIYYOWZCRVQRT-UHFFFAOYSA-N
XLogP-0.68
TPSA88.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 5-0.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1,3-bis(methoxymethyl)-2,4-dioxopyrimidin-5-yl]ethyl acetate?
The IUPAC name of 2-[1,3-bis(methoxymethyl)-2,4-dioxopyrimidin-5-yl]ethyl acetate (CID 57394208) is 2-[1,3-bis(methoxymethyl)-2,4-dioxopyrimidin-5-yl]ethyl acetate.
What is the SMILES notation for 2-[1,3-bis(methoxymethyl)-2,4-dioxopyrimidin-5-yl]ethyl acetate?
The canonical SMILES for 2-[1,3-bis(methoxymethyl)-2,4-dioxopyrimidin-5-yl]ethyl acetate is COCn1cc(CCOC(C)=O)c(=O)n(COC)c1=O.
What is the InChIKey of 2-[1,3-bis(methoxymethyl)-2,4-dioxopyrimidin-5-yl]ethyl acetate?
The InChIKey is MKIYYOWZCRVQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O6/c1-9(15)20-5-4-10-6-13(7-18-2)12(17)14(8-19-3)11(10)16/h6H,4-5,7-8H2,1-3H3.
What are the key properties of 2-[1,3-bis(methoxymethyl)-2,4-dioxopyrimidin-5-yl]ethyl acetate?
2-[1,3-bis(methoxymethyl)-2,4-dioxopyrimidin-5-yl]ethyl acetate has a molecular weight of 286.28 g/mol, XLogP of -0.68, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-bis(methoxymethyl)-2,4-dioxopyrimidin-5-yl]ethyl acetate is sourced from PubChem (CID 57394208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).