methyl 9-(2-methoxy-2-oxoethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate

C14H16N2O5 — CID 54215838

IUPACmethyl 9-(2-methoxy-2-oxoethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate
SMILESCOC(=O)C=C1CCC(C)n2c1ncc(C(=O)OC)c2=O
InChIInChI=1S/C14H16N2O5/c1-8-4-5-9(6-11(17)20-2)12-15-7-10(14(19)21-3)13(18)16(8)12/h6-8H,4-5H2,1-3H3
InChIKeyPZCUEQKVLHNLNG-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.94
Rot. Bonds2

About methyl 9-(2-methoxy-2-oxoethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate

methyl 9-(2-methoxy-2-oxoethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate (PubChem CID 54215838) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is methyl 9-(2-methoxy-2-oxoethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 9-(2-methoxy-2-oxoethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate
PubChem CID54215838
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Namemethyl 9-(2-methoxy-2-oxoethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate
SMILESCOC(=O)C=C1CCC(C)n2c1ncc(C(=O)OC)c2=O
InChIInChI=1S/C14H16N2O5/c1-8-4-5-9(6-11(17)20-2)12-15-7-10(14(19)21-3)13(18)16(8)12/h6-8H,4-5H2,1-3H3
InChIKeyPZCUEQKVLHNLNG-UHFFFAOYSA-N
XLogP0.94
TPSA87.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 9-(2-methoxy-2-oxoethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate?
The IUPAC name of methyl 9-(2-methoxy-2-oxoethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate (CID 54215838) is methyl 9-(2-methoxy-2-oxoethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate.
What is the SMILES notation for methyl 9-(2-methoxy-2-oxoethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate?
The canonical SMILES for methyl 9-(2-methoxy-2-oxoethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate is COC(=O)C=C1CCC(C)n2c1ncc(C(=O)OC)c2=O.
What is the InChIKey of methyl 9-(2-methoxy-2-oxoethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate?
The InChIKey is PZCUEQKVLHNLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-8-4-5-9(6-11(17)20-2)12-15-7-10(14(19)21-3)13(18)16(8)12/h6-8H,4-5H2,1-3H3.
What are the key properties of methyl 9-(2-methoxy-2-oxoethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate?
methyl 9-(2-methoxy-2-oxoethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate has a molecular weight of 292.29 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-(2-methoxy-2-oxoethylidene)-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 54215838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).