ethyl 6-oxo-1-prop-2-enylpyrimidine-5-carboxylate

C10H12N2O3 — CID 18172515

IUPACethyl 6-oxo-1-prop-2-enylpyrimidine-5-carboxylate
SMILESC=CCn1cncc(C(=O)OCC)c1=O
InChIInChI=1S/C10H12N2O3/c1-3-5-12-7-11-6-8(9(12)13)10(14)15-4-2/h3,6-7H,1,4-5H2,2H3
InChIKeyVIYJQVAETAYDSK-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.61
Rot. Bonds4

About ethyl 6-oxo-1-prop-2-enylpyrimidine-5-carboxylate

ethyl 6-oxo-1-prop-2-enylpyrimidine-5-carboxylate (PubChem CID 18172515) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is ethyl 6-oxo-1-prop-2-enylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-oxo-1-prop-2-enylpyrimidine-5-carboxylate
PubChem CID18172515
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Nameethyl 6-oxo-1-prop-2-enylpyrimidine-5-carboxylate
SMILESC=CCn1cncc(C(=O)OCC)c1=O
InChIInChI=1S/C10H12N2O3/c1-3-5-12-7-11-6-8(9(12)13)10(14)15-4-2/h3,6-7H,1,4-5H2,2H3
InChIKeyVIYJQVAETAYDSK-UHFFFAOYSA-N
XLogP0.61
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-oxo-1-prop-2-enylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-oxo-1-prop-2-enylpyrimidine-5-carboxylate (CID 18172515) is ethyl 6-oxo-1-prop-2-enylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-oxo-1-prop-2-enylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-oxo-1-prop-2-enylpyrimidine-5-carboxylate is C=CCn1cncc(C(=O)OCC)c1=O.
What is the InChIKey of ethyl 6-oxo-1-prop-2-enylpyrimidine-5-carboxylate?
The InChIKey is VIYJQVAETAYDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-3-5-12-7-11-6-8(9(12)13)10(14)15-4-2/h3,6-7H,1,4-5H2,2H3.
What are the key properties of ethyl 6-oxo-1-prop-2-enylpyrimidine-5-carboxylate?
ethyl 6-oxo-1-prop-2-enylpyrimidine-5-carboxylate has a molecular weight of 208.22 g/mol, XLogP of 0.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-oxo-1-prop-2-enylpyrimidine-5-carboxylate is sourced from PubChem (CID 18172515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).