ethyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetate

C8H12N4O3 — CID 136974094

IUPACethyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetate
SMILESCCOC(=O)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C8H12N4O3/c1-2-15-5(13)3-10-7-6(9)8(14)12-4-11-7/h4H,2-3,9H2,1H3,(H2,10,11,12,14)
InChIKeyQYFIVJRANOJZGG-UHFFFAOYSA-N
MW212.21 g/mol
LogP-0.67
Rot. Bonds4

About ethyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetate

ethyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetate (PubChem CID 136974094) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is ethyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetate
PubChem CID136974094
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Nameethyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetate
SMILESCCOC(=O)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C8H12N4O3/c1-2-15-5(13)3-10-7-6(9)8(14)12-4-11-7/h4H,2-3,9H2,1H3,(H2,10,11,12,14)
InChIKeyQYFIVJRANOJZGG-UHFFFAOYSA-N
XLogP-0.67
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl (4-amino-6-oxo-1,6-dihydro-5-pyrimidinylimino)acetate
CID 135703369
5-amino-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136896830
5-amino-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 137016443
ethyl 2-[(5-amino-6-oxo-1H-pyrimidin-2-yl)amino]acetate
CID 54343338
ethyl 5-amino-4-(methylamino)-6-oxo-1H-pyrimidine-2-carboxylate
CID 136449103
ethyl 2-[(5-amino-6-oxo-1H-pyrimidin-2-yl)amino]propanoate
CID 140333246
[C-[[4-(ethylamino)-5-(methylamino)-6-oxopyrimidin-1-yl]methyl]-N-methylcarbonimidoyl] acetate
CID 142358029
2-(2-Acetamido-6,8-dioxo-1,9-dihydropurin-7-yl)ethyl acetate
CID 156392014
2-(2-acetamido-9-methyl-6,8-dioxo-1H-purin-7-yl)ethyl acetate
CID 156435963
Ethyl 2-(2-acetamido-6,8-dioxo-1,9-dihydropurin-7-yl)acetate
CID 166517467
Ethyl 2-[(2-amino-1-methyl-5-nitro-6-oxopyrimidin-4-yl)amino]acetate
CID 21815537
(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl)methyl acetate
CID 135532307

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetate?
The IUPAC name of ethyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetate (CID 136974094) is ethyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetate is CCOC(=O)CNc1nc[nH]c(=O)c1N.
What is the InChIKey of ethyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetate?
The InChIKey is QYFIVJRANOJZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-2-15-5(13)3-10-7-6(9)8(14)12-4-11-7/h4H,2-3,9H2,1H3,(H2,10,11,12,14).
What are the key properties of ethyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetate?
ethyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetate has a molecular weight of 212.21 g/mol, XLogP of -0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetate is sourced from PubChem (CID 136974094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).