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

C10H8N2O3 — CID 58101098

IUPACmethyl 4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1cc(=O)n2ccccc2n1
InChIInChI=1S/C10H8N2O3/c1-15-10(14)7-6-9(13)12-5-3-2-4-8(12)11-7/h2-6H,1H3
InChIKeyGUJFYPJBBNDTKI-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.48
Rot. Bonds1

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

methyl 4-oxopyrido[1,2-a]pyrimidine-2-carboxylate (PubChem CID 58101098) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is methyl 4-oxopyrido[1,2-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
PubChem CID58101098
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Namemethyl 4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1cc(=O)n2ccccc2n1
InChIInChI=1S/C10H8N2O3/c1-15-10(14)7-6-9(13)12-5-3-2-4-8(12)11-7/h2-6H,1H3
InChIKeyGUJFYPJBBNDTKI-UHFFFAOYSA-N
XLogP0.48
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-oxopyrido[1,2-a]pyrimidine-2-carboxylate (CID 58101098) is methyl 4-oxopyrido[1,2-a]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-oxopyrido[1,2-a]pyrimidine-2-carboxylate is COC(=O)c1cc(=O)n2ccccc2n1.
What is the InChIKey of methyl 4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
The InChIKey is GUJFYPJBBNDTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-15-10(14)7-6-9(13)12-5-3-2-4-8(12)11-7/h2-6H,1H3.
What are the key properties of methyl 4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
methyl 4-oxopyrido[1,2-a]pyrimidine-2-carboxylate has a molecular weight of 204.19 g/mol, XLogP of 0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxopyrido[1,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 58101098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).