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

C8H11N3O3 — CID 136956152

IUPACethyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetate
SMILESCCOC(=O)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C8H11N3O3/c1-2-14-8(13)4-9-6-3-7(12)11-5-10-6/h3,5H,2,4H2,1H3,(H2,9,10,11,12)
InChIKeyMBSXBIDYHLVVTG-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.26
Rot. Bonds4

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

ethyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetate (PubChem CID 136956152) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is ethyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetate
PubChem CID136956152
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Nameethyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetate
SMILESCCOC(=O)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C8H11N3O3/c1-2-14-8(13)4-9-6-3-7(12)11-5-10-6/h3,5H,2,4H2,1H3,(H2,9,10,11,12)
InChIKeyMBSXBIDYHLVVTG-UHFFFAOYSA-N
XLogP-0.26
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136896834
4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136956681
methyl 2-[(6-oxo-1H-pyrimidin-2-yl)amino]acetate
CID 54286930
6-Amino-2-methoxy-3-(ethoxycarbonylmethyl)-4-pyrimidone
CID 69967345
ethyl 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)methylcarbamoylamino]acetate
CID 136455000
6-((2,2-Dimethoxyethyl)amino)pyrimidin-4-ol
CID 136713910
ethyl 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]acetate
CID 136723287
2-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide
CID 136805713
4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820297
4-[2-[2-(dimethylamino)ethoxy]ethylamino]-1H-pyrimidin-6-one
CID 136896842
4-[(2-ethoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136954502
4-(2-ethoxyethylamino)-1H-pyrimidin-6-one
CID 136955871

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetate?
The IUPAC name of ethyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetate (CID 136956152) is ethyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetate is CCOC(=O)CNc1cc(=O)[nH]cn1.
What is the InChIKey of ethyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetate?
The InChIKey is MBSXBIDYHLVVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-2-14-8(13)4-9-6-3-7(12)11-5-10-6/h3,5H,2,4H2,1H3,(H2,9,10,11,12).
What are the key properties of ethyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetate?
ethyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetate has a molecular weight of 197.19 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetate is sourced from PubChem (CID 136956152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).