2-[2-acetyloxyethyl-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]ethyl acetate

C13H19N3O6 — CID 2257313

IUPAC2-[2-acetyloxyethyl-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]ethyl acetate
SMILESCC(=O)OCCN(CCOC(C)=O)c1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H19N3O6/c1-8-11(12(19)15-13(20)14-8)16(4-6-21-9(2)17)5-7-22-10(3)18/h4-7H2,1-3H3,(H2,14,15,19,20)
InChIKeyWAVFHFTXXFGIIT-UHFFFAOYSA-N
MW313.31 g/mol
LogP-0.70
Rot. Bonds7

About 2-[2-acetyloxyethyl-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]ethyl acetate

2-[2-acetyloxyethyl-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]ethyl acetate (PubChem CID 2257313) has the molecular formula C13H19N3O6 and a molecular weight of 313.31 g/mol. Its IUPAC name is 2-[2-acetyloxyethyl-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]ethyl acetate.

Molecular Properties

Compound Name2-[2-acetyloxyethyl-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]ethyl acetate
PubChem CID2257313
Molecular FormulaC13H19N3O6
Molecular Weight313.31 g/mol
Exact Mass313.13
IUPAC Name2-[2-acetyloxyethyl-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]ethyl acetate
SMILESCC(=O)OCCN(CCOC(C)=O)c1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H19N3O6/c1-8-11(12(19)15-13(20)14-8)16(4-6-21-9(2)17)5-7-22-10(3)18/h4-7H2,1-3H3,(H2,14,15,19,20)
InChIKeyWAVFHFTXXFGIIT-UHFFFAOYSA-N
XLogP-0.70
TPSA121.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-acetyloxyethyl-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]ethyl acetate?
The IUPAC name of 2-[2-acetyloxyethyl-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]ethyl acetate (CID 2257313) is 2-[2-acetyloxyethyl-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]ethyl acetate.
What is the SMILES notation for 2-[2-acetyloxyethyl-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]ethyl acetate?
The canonical SMILES for 2-[2-acetyloxyethyl-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]ethyl acetate is CC(=O)OCCN(CCOC(C)=O)c1c(C)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2-[2-acetyloxyethyl-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]ethyl acetate?
The InChIKey is WAVFHFTXXFGIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O6/c1-8-11(12(19)15-13(20)14-8)16(4-6-21-9(2)17)5-7-22-10(3)18/h4-7H2,1-3H3,(H2,14,15,19,20).
What are the key properties of 2-[2-acetyloxyethyl-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]ethyl acetate?
2-[2-acetyloxyethyl-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]ethyl acetate has a molecular weight of 313.31 g/mol, XLogP of -0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-acetyloxyethyl-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]ethyl acetate is sourced from PubChem (CID 2257313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).