ethyl 5-amino-2-oxo-1H-pyrimidine-6-carboxylate

C7H9N3O3 — CID 117272940

IUPACethyl 5-amino-2-oxo-1H-pyrimidine-6-carboxylate
SMILESCCOC(=O)c1[nH]c(=O)ncc1N
InChIInChI=1S/C7H9N3O3/c1-2-13-6(11)5-4(8)3-9-7(12)10-5/h3H,2,8H2,1H3,(H,9,10,12)
InChIKeyXTPXUMOUHLVZMF-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.47
Rot. Bonds2

About ethyl 5-amino-2-oxo-1H-pyrimidine-6-carboxylate

ethyl 5-amino-2-oxo-1H-pyrimidine-6-carboxylate (PubChem CID 117272940) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is ethyl 5-amino-2-oxo-1H-pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-oxo-1H-pyrimidine-6-carboxylate
PubChem CID117272940
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Nameethyl 5-amino-2-oxo-1H-pyrimidine-6-carboxylate
SMILESCCOC(=O)c1[nH]c(=O)ncc1N
InChIInChI=1S/C7H9N3O3/c1-2-13-6(11)5-4(8)3-9-7(12)10-5/h3H,2,8H2,1H3,(H,9,10,12)
InChIKeyXTPXUMOUHLVZMF-UHFFFAOYSA-N
XLogP-0.47
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-amino-2-oxo-1H-pyrimidine-5-carboxylate;ethyl 2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 67784776
ethyl 2-methyl-6-oxo-1H-pyrazine-3-carboxylate
CID 130116351
N-(5-amino-2-oxo-1H-pyrimidin-6-yl)-3-(4-ethylphenyl)propanamide
CID 154785761
ethane;ethyl 4-methyl-1H-pyrazole-5-carboxylate
CID 144671830
ethyl 6-amino-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
CID 123135469
diethyl 2-sulfanylidene-1,3-dihydroimidazole-4,5-dicarboxylate
CID 4271345
ethyl 5-methyl-2-oxo-3H-1,3-oxazole-4-carboxylate
CID 10631006
diethyl 3,4-bis(2,2-dimethylpropoxy)-1H-pyrrole-2,5-dicarboxylate
CID 59030090
ethyl 3-amino-5-(2-ethoxyphenyl)-1H-pyrrole-2-carboxylate
CID 92715293
ethyl 5-methyl-1-oxo-2,6-dihydropyrrolo[3,4-d]pyridazine-7-carboxylate
CID 143506968
ethyl 4-amino-2-ethoxy-6-oxo-1H-pyridine-3-carboxylate
CID 13086384
ethyl 5-amino-3-(trifluoromethyl)-1H-pyrrole-2-carboxylate
CID 141269481

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-oxo-1H-pyrimidine-6-carboxylate?
The IUPAC name of ethyl 5-amino-2-oxo-1H-pyrimidine-6-carboxylate (CID 117272940) is ethyl 5-amino-2-oxo-1H-pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-oxo-1H-pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 5-amino-2-oxo-1H-pyrimidine-6-carboxylate is CCOC(=O)c1[nH]c(=O)ncc1N.
What is the InChIKey of ethyl 5-amino-2-oxo-1H-pyrimidine-6-carboxylate?
The InChIKey is XTPXUMOUHLVZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-2-13-6(11)5-4(8)3-9-7(12)10-5/h3H,2,8H2,1H3,(H,9,10,12).
What are the key properties of ethyl 5-amino-2-oxo-1H-pyrimidine-6-carboxylate?
ethyl 5-amino-2-oxo-1H-pyrimidine-6-carboxylate has a molecular weight of 183.17 g/mol, XLogP of -0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-oxo-1H-pyrimidine-6-carboxylate is sourced from PubChem (CID 117272940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).