ethyl 7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate

C12H12N2O3 — CID 102144487

IUPACethyl 7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cc(=O)n2cc(C)ccc2n1
InChIInChI=1S/C12H12N2O3/c1-3-17-12(16)9-6-11(15)14-7-8(2)4-5-10(14)13-9/h4-7H,3H2,1-2H3
InChIKeyVBKHODVEHKZXTA-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.18
Rot. Bonds2

About ethyl 7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate

ethyl 7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate (PubChem CID 102144487) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is ethyl 7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
PubChem CID102144487
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Nameethyl 7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cc(=O)n2cc(C)ccc2n1
InChIInChI=1S/C12H12N2O3/c1-3-17-12(16)9-6-11(15)14-7-8(2)4-5-10(14)13-9/h4-7H,3H2,1-2H3
InChIKeyVBKHODVEHKZXTA-UHFFFAOYSA-N
XLogP1.18
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl pyridine-2-carboxylate
CID 7678760
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-butyl-6-oxopyridazine-3-carboxylate
CID 78789177
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl pyrazine-2-carboxylate
CID 7679149
ethyl 6-methyl-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylate
CID 14761410
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-aminobenzoate
CID 7494667
ethyl 6-methyl-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate
CID 118674755
ethyl 5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxylate
CID 71670331
ethyl 5-oxo-1H-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylate
CID 14850450
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl cyclobutanecarboxylate
CID 7542435
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-tert-butyl-5-propan-2-ylpyrazole-3-carboxylate
CID 51117628
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-ethoxy-4-propoxybenzoate
CID 7680739
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-chloro-6-ethoxypyridine-2-carboxylate
CID 47072609

Frequently Asked Questions

What is the IUPAC name of ethyl 7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate (CID 102144487) is ethyl 7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate is CCOC(=O)c1cc(=O)n2cc(C)ccc2n1.
What is the InChIKey of ethyl 7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
The InChIKey is VBKHODVEHKZXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-3-17-12(16)9-6-11(15)14-7-8(2)4-5-10(14)13-9/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
ethyl 7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate has a molecular weight of 232.24 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 102144487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).