ethyl 1-(dimethylamino)-6-oxopyrimidine-2-carboxylate

C9H13N3O3 — CID 69181388

IUPACethyl 1-(dimethylamino)-6-oxopyrimidine-2-carboxylate
SMILESCCOC(=O)c1nccc(=O)n1N(C)C
InChIInChI=1S/C9H13N3O3/c1-4-15-9(14)8-10-6-5-7(13)12(8)11(2)3/h5-6H,4H2,1-3H3
InChIKeyNCKCYVIYCUPZDZ-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.38
Rot. Bonds3

About ethyl 1-(dimethylamino)-6-oxopyrimidine-2-carboxylate

ethyl 1-(dimethylamino)-6-oxopyrimidine-2-carboxylate (PubChem CID 69181388) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is ethyl 1-(dimethylamino)-6-oxopyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(dimethylamino)-6-oxopyrimidine-2-carboxylate
PubChem CID69181388
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Nameethyl 1-(dimethylamino)-6-oxopyrimidine-2-carboxylate
SMILESCCOC(=O)c1nccc(=O)n1N(C)C
InChIInChI=1S/C9H13N3O3/c1-4-15-9(14)8-10-6-5-7(13)12(8)11(2)3/h5-6H,4H2,1-3H3
InChIKeyNCKCYVIYCUPZDZ-UHFFFAOYSA-N
XLogP-0.38
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(dimethylamino)-6-oxopyrimidine-2-carboxylate?
The IUPAC name of ethyl 1-(dimethylamino)-6-oxopyrimidine-2-carboxylate (CID 69181388) is ethyl 1-(dimethylamino)-6-oxopyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(dimethylamino)-6-oxopyrimidine-2-carboxylate?
The canonical SMILES for ethyl 1-(dimethylamino)-6-oxopyrimidine-2-carboxylate is CCOC(=O)c1nccc(=O)n1N(C)C.
What is the InChIKey of ethyl 1-(dimethylamino)-6-oxopyrimidine-2-carboxylate?
The InChIKey is NCKCYVIYCUPZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-4-15-9(14)8-10-6-5-7(13)12(8)11(2)3/h5-6H,4H2,1-3H3.
What are the key properties of ethyl 1-(dimethylamino)-6-oxopyrimidine-2-carboxylate?
ethyl 1-(dimethylamino)-6-oxopyrimidine-2-carboxylate has a molecular weight of 211.22 g/mol, XLogP of -0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(dimethylamino)-6-oxopyrimidine-2-carboxylate is sourced from PubChem (CID 69181388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).