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

C11H14N2O3 — CID 146160458

IUPACmethyl 6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1cc(=O)n2c(n1)CCCC2C
InChIInChI=1S/C11H14N2O3/c1-7-4-3-5-9-12-8(11(15)16-2)6-10(14)13(7)9/h6-7H,3-5H2,1-2H3
InChIKeyYSNUQXQNZUDHPV-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.93
Rot. Bonds1

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

methyl 6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate (PubChem CID 146160458) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is methyl 6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate
PubChem CID146160458
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Namemethyl 6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1cc(=O)n2c(n1)CCCC2C
InChIInChI=1S/C11H14N2O3/c1-7-4-3-5-9-12-8(11(15)16-2)6-10(14)13(7)9/h6-7H,3-5H2,1-2H3
InChIKeyYSNUQXQNZUDHPV-UHFFFAOYSA-N
XLogP0.93
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate?
The IUPAC name of methyl 6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate (CID 146160458) is methyl 6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate is COC(=O)c1cc(=O)n2c(n1)CCCC2C.
What is the InChIKey of methyl 6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate?
The InChIKey is YSNUQXQNZUDHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7-4-3-5-9-12-8(11(15)16-2)6-10(14)13(7)9/h6-7H,3-5H2,1-2H3.
What are the key properties of methyl 6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate?
methyl 6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate has a molecular weight of 222.24 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 146160458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).