ethyl 2-(2-amino-2-oxoethyl)-6-oxo-1H-pyrimidine-5-carboxylate

C9H11N3O4 — CID 62021504

IUPACethyl 2-(2-amino-2-oxoethyl)-6-oxo-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(CC(N)=O)[nH]c1=O
InChIInChI=1S/C9H11N3O4/c1-2-16-9(15)5-4-11-7(3-6(10)13)12-8(5)14/h4H,2-3H2,1H3,(H2,10,13)(H,11,12,14)
InChIKeyJMONWKWZBQSHIX-UHFFFAOYSA-N
MW225.20 g/mol
LogP-1.03
Rot. Bonds4

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

ethyl 2-(2-amino-2-oxoethyl)-6-oxo-1H-pyrimidine-5-carboxylate (PubChem CID 62021504) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is ethyl 2-(2-amino-2-oxoethyl)-6-oxo-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-amino-2-oxoethyl)-6-oxo-1H-pyrimidine-5-carboxylate
PubChem CID62021504
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Nameethyl 2-(2-amino-2-oxoethyl)-6-oxo-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(CC(N)=O)[nH]c1=O
InChIInChI=1S/C9H11N3O4/c1-2-16-9(15)5-4-11-7(3-6(10)13)12-8(5)14/h4H,2-3H2,1H3,(H2,10,13)(H,11,12,14)
InChIKeyJMONWKWZBQSHIX-UHFFFAOYSA-N
XLogP-1.03
TPSA115.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-amino-2-oxoethyl)-6-oxo-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(2-amino-2-oxoethyl)-6-oxo-1H-pyrimidine-5-carboxylate (CID 62021504) is ethyl 2-(2-amino-2-oxoethyl)-6-oxo-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(2-amino-2-oxoethyl)-6-oxo-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(2-amino-2-oxoethyl)-6-oxo-1H-pyrimidine-5-carboxylate is CCOC(=O)c1cnc(CC(N)=O)[nH]c1=O.
What is the InChIKey of ethyl 2-(2-amino-2-oxoethyl)-6-oxo-1H-pyrimidine-5-carboxylate?
The InChIKey is JMONWKWZBQSHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-2-16-9(15)5-4-11-7(3-6(10)13)12-8(5)14/h4H,2-3H2,1H3,(H2,10,13)(H,11,12,14).
What are the key properties of ethyl 2-(2-amino-2-oxoethyl)-6-oxo-1H-pyrimidine-5-carboxylate?
ethyl 2-(2-amino-2-oxoethyl)-6-oxo-1H-pyrimidine-5-carboxylate has a molecular weight of 225.20 g/mol, XLogP of -1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-amino-2-oxoethyl)-6-oxo-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 62021504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).