2-(6-amino-2,4-dioxopyrimidin-1-yl)ethyl acetate

C8H11N3O4 — CID 69289087

IUPAC2-(6-amino-2,4-dioxopyrimidin-1-yl)ethyl acetate
SMILESCC(=O)OCCn1c(N)cc(=O)[nH]c1=O
InChIInChI=1S/C8H11N3O4/c1-5(12)15-3-2-11-6(9)4-7(13)10-8(11)14/h4H,2-3,9H2,1H3,(H,10,13,14)
InChIKeyXEUFWCMFTNXCJC-UHFFFAOYSA-N
MW213.19 g/mol
LogP-1.32
Rot. Bonds3

About 2-(6-amino-2,4-dioxopyrimidin-1-yl)ethyl acetate

2-(6-amino-2,4-dioxopyrimidin-1-yl)ethyl acetate (PubChem CID 69289087) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 2-(6-amino-2,4-dioxopyrimidin-1-yl)ethyl acetate.

Molecular Properties

Compound Name2-(6-amino-2,4-dioxopyrimidin-1-yl)ethyl acetate
PubChem CID69289087
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name2-(6-amino-2,4-dioxopyrimidin-1-yl)ethyl acetate
SMILESCC(=O)OCCn1c(N)cc(=O)[nH]c1=O
InChIInChI=1S/C8H11N3O4/c1-5(12)15-3-2-11-6(9)4-7(13)10-8(11)14/h4H,2-3,9H2,1H3,(H,10,13,14)
InChIKeyXEUFWCMFTNXCJC-UHFFFAOYSA-N
XLogP-1.32
TPSA107.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-2,4-dioxopyrimidin-1-yl)ethyl acetate?
The IUPAC name of 2-(6-amino-2,4-dioxopyrimidin-1-yl)ethyl acetate (CID 69289087) is 2-(6-amino-2,4-dioxopyrimidin-1-yl)ethyl acetate.
What is the SMILES notation for 2-(6-amino-2,4-dioxopyrimidin-1-yl)ethyl acetate?
The canonical SMILES for 2-(6-amino-2,4-dioxopyrimidin-1-yl)ethyl acetate is CC(=O)OCCn1c(N)cc(=O)[nH]c1=O.
What is the InChIKey of 2-(6-amino-2,4-dioxopyrimidin-1-yl)ethyl acetate?
The InChIKey is XEUFWCMFTNXCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c1-5(12)15-3-2-11-6(9)4-7(13)10-8(11)14/h4H,2-3,9H2,1H3,(H,10,13,14).
What are the key properties of 2-(6-amino-2,4-dioxopyrimidin-1-yl)ethyl acetate?
2-(6-amino-2,4-dioxopyrimidin-1-yl)ethyl acetate has a molecular weight of 213.19 g/mol, XLogP of -1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-2,4-dioxopyrimidin-1-yl)ethyl acetate is sourced from PubChem (CID 69289087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).