methyl 3,8-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate

C12H16N2O3 — CID 59771076

IUPACmethyl 3,8-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2n(c(=O)c1C)CCC(C)C2
InChIInChI=1S/C12H16N2O3/c1-7-4-5-14-9(6-7)13-10(12(16)17-3)8(2)11(14)15/h7H,4-6H2,1-3H3
InChIKeyCLUOCZYXZSVEIF-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.92
Rot. Bonds1

About methyl 3,8-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate

methyl 3,8-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate (PubChem CID 59771076) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is methyl 3,8-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3,8-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate
PubChem CID59771076
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Namemethyl 3,8-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2n(c(=O)c1C)CCC(C)C2
InChIInChI=1S/C12H16N2O3/c1-7-4-5-14-9(6-7)13-10(12(16)17-3)8(2)11(14)15/h7H,4-6H2,1-3H3
InChIKeyCLUOCZYXZSVEIF-UHFFFAOYSA-N
XLogP0.92
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3,8-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate?
The IUPAC name of methyl 3,8-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate (CID 59771076) is methyl 3,8-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 3,8-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 3,8-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate is COC(=O)c1nc2n(c(=O)c1C)CCC(C)C2.
What is the InChIKey of methyl 3,8-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate?
The InChIKey is CLUOCZYXZSVEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-7-4-5-14-9(6-7)13-10(12(16)17-3)8(2)11(14)15/h7H,4-6H2,1-3H3.
What are the key properties of methyl 3,8-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate?
methyl 3,8-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate has a molecular weight of 236.27 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,8-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 59771076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).