ethyl 4-amino-2-oxo-5H-pyrimidine-5-carboxylate

C7H9N3O3 — CID 77354906

IUPACethyl 4-amino-2-oxo-5H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1C=NC(=O)N=C1N
InChIInChI=1S/C7H9N3O3/c1-2-13-6(11)4-3-9-7(12)10-5(4)8/h3-4H,2H2,1H3,(H2,8,10,12)
InChIKeySVDADSUJLYHFNL-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.27
Rot. Bonds2

About ethyl 4-amino-2-oxo-5H-pyrimidine-5-carboxylate

ethyl 4-amino-2-oxo-5H-pyrimidine-5-carboxylate (PubChem CID 77354906) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is ethyl 4-amino-2-oxo-5H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2-oxo-5H-pyrimidine-5-carboxylate
PubChem CID77354906
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Nameethyl 4-amino-2-oxo-5H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1C=NC(=O)N=C1N
InChIInChI=1S/C7H9N3O3/c1-2-13-6(11)4-3-9-7(12)10-5(4)8/h3-4H,2H2,1H3,(H2,8,10,12)
InChIKeySVDADSUJLYHFNL-UHFFFAOYSA-N
XLogP-0.27
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-4-oxo-5H-pyrimidine-5-carboxylate
CID 44292600
Ethyl 3-amino-3-ethyliminopropanoate
CID 14050989
Ethyl 3-imino-3-(methylamino)propanoate
CID 20567865
Ethyl 4-oxo-4,5-dihydropyrimidine-5-carboxylate
CID 53399650
Propyl 3-amino-3-methyliminopropanoate
CID 54275313
Ethyl 3-carbamoylimino-2-methylpropanoate
CID 57316403
Ethyl 3-amino-3-ethyliminopropanoate;hydrochloride
CID 88616078
Ethyl 3-amino-3-imino-2-methanimidoylpropanoate
CID 123284994
Ethyl 3-amino-3-imino-2-(methyliminomethyl)propanoate
CID 123631312
Ethyl 4-amino-2-thioxo-2,5-dihydropyrimidine-5-carboxylate
CID 4355278
ethyl (5R)-4-amino-2-sulfanylidene-5H-pyrimidine-5-carboxylate
CID 7308412
ethyl (5S)-4-amino-2-sulfanylidene-5H-pyrimidine-5-carboxylate
CID 7308413

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-oxo-5H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-amino-2-oxo-5H-pyrimidine-5-carboxylate (CID 77354906) is ethyl 4-amino-2-oxo-5H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-2-oxo-5H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-amino-2-oxo-5H-pyrimidine-5-carboxylate is CCOC(=O)C1C=NC(=O)N=C1N.
What is the InChIKey of ethyl 4-amino-2-oxo-5H-pyrimidine-5-carboxylate?
The InChIKey is SVDADSUJLYHFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-2-13-6(11)4-3-9-7(12)10-5(4)8/h3-4H,2H2,1H3,(H2,8,10,12).
What are the key properties of ethyl 4-amino-2-oxo-5H-pyrimidine-5-carboxylate?
ethyl 4-amino-2-oxo-5H-pyrimidine-5-carboxylate has a molecular weight of 183.17 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-oxo-5H-pyrimidine-5-carboxylate is sourced from PubChem (CID 77354906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).