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

C9H13N3O3 — CID 136956150

IUPACethyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate
SMILESCCOC(=O)CNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C9H13N3O3/c1-3-15-9(14)5-10-7-4-8(13)12-6(2)11-7/h4H,3,5H2,1-2H3,(H2,10,11,12,13)
InChIKeyLLGPPTYCHJWING-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.05
Rot. Bonds4

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

ethyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate (PubChem CID 136956150) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is ethyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate
PubChem CID136956150
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Nameethyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate
SMILESCCOC(=O)CNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C9H13N3O3/c1-3-15-9(14)5-10-7-4-8(13)12-6(2)11-7/h4H,3,5H2,1-2H3,(H2,10,11,12,13)
InChIKeyLLGPPTYCHJWING-UHFFFAOYSA-N
XLogP0.05
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2,2-difluoroethoxy)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 136896828
2-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136956679
ethyl 6-oxo-1H-pyrimidine-2-carboxylate
CID 54150298
4-Hydroxy-2-methyl-6-morpholinopyrimidine
CID 135592113
ethyl 2-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethylcarbamoylamino]acetate
CID 136344715
ethyl 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)methylcarbamoylamino]acetate
CID 136455000
butyl 6-oxo-1H-pyrimidine-2-carboxylate
CID 172999767
propyl 6-oxo-1H-pyrimidine-2-carboxylate
CID 173000060
4-(2,2-dimethoxyethylamino)-2-methyl-1H-pyrimidin-6-one
CID 136713916
4-[3-(2-aminoethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one
CID 136730547
2-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide
CID 136805706
2-(methoxymethyl)-4-(propylamino)-1H-pyrimidin-6-one
CID 136818885

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate?
The IUPAC name of ethyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate (CID 136956150) is ethyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate is CCOC(=O)CNc1cc(=O)[nH]c(C)n1.
What is the InChIKey of ethyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate?
The InChIKey is LLGPPTYCHJWING-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-3-15-9(14)5-10-7-4-8(13)12-6(2)11-7/h4H,3,5H2,1-2H3,(H2,10,11,12,13).
What are the key properties of ethyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate?
ethyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate has a molecular weight of 211.22 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate is sourced from PubChem (CID 136956150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).