ethyl 2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetate

C8H11N3O3 — CID 135471846

IUPACethyl 2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetate
SMILESCCOC(=O)Cc1cc(=O)[nH]c(N)n1
InChIInChI=1S/C8H11N3O3/c1-2-14-7(13)4-5-3-6(12)11-8(9)10-5/h3H,2,4H2,1H3,(H3,9,10,11,12)
InChIKeyINZMWPQMHAXKQR-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.54
Rot. Bonds3

About ethyl 2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetate

ethyl 2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetate (PubChem CID 135471846) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is ethyl 2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetate
PubChem CID135471846
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Nameethyl 2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetate
SMILESCCOC(=O)Cc1cc(=O)[nH]c(N)n1
InChIInChI=1S/C8H11N3O3/c1-2-14-7(13)4-5-3-6(12)11-8(9)10-5/h3H,2,4H2,1H3,(H3,9,10,11,12)
InChIKeyINZMWPQMHAXKQR-UHFFFAOYSA-N
XLogP-0.54
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetate?
The IUPAC name of ethyl 2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetate (CID 135471846) is ethyl 2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetate.
What is the SMILES notation for ethyl 2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetate?
The canonical SMILES for ethyl 2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetate is CCOC(=O)Cc1cc(=O)[nH]c(N)n1.
What is the InChIKey of ethyl 2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetate?
The InChIKey is INZMWPQMHAXKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-2-14-7(13)4-5-3-6(12)11-8(9)10-5/h3H,2,4H2,1H3,(H3,9,10,11,12).
What are the key properties of ethyl 2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetate?
ethyl 2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetate has a molecular weight of 197.19 g/mol, XLogP of -0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-amino-6-oxo-1H-pyrimidin-4-yl)acetate is sourced from PubChem (CID 135471846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).