methyl 2-[(2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate

C15H19N3O3 — CID 149299841

IUPACmethyl 2-[(2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate
SMILESCCc1cc(=O)n2cc(NC(C)(C)C(=O)OC)ccc2n1
InChIInChI=1S/C15H19N3O3/c1-5-10-8-13(19)18-9-11(6-7-12(18)16-10)17-15(2,3)14(20)21-4/h6-9,17H,5H2,1-4H3
InChIKeyXWNMLPXFIQISLI-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.62
Rot. Bonds4

About methyl 2-[(2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate

methyl 2-[(2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate (PubChem CID 149299841) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is methyl 2-[(2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate
PubChem CID149299841
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Namemethyl 2-[(2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate
SMILESCCc1cc(=O)n2cc(NC(C)(C)C(=O)OC)ccc2n1
InChIInChI=1S/C15H19N3O3/c1-5-10-8-13(19)18-9-11(6-7-12(18)16-10)17-15(2,3)14(20)21-4/h6-9,17H,5H2,1-4H3
InChIKeyXWNMLPXFIQISLI-UHFFFAOYSA-N
XLogP1.62
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate with MolForge

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Related Compounds

Methyl 2-[(2-ethyl-9-fluoro-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate
CID 147107455
Methyl 2-[(9-fluoro-2-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate
CID 148111839
Methyl 2-[(2-ethyl-9-fluoro-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate
CID 148216837
Methyl 2-[(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate
CID 149381722
2-[(2-Ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid
CID 153038473
2-[(2-Ethyl-9-fluoro-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid
CID 154932933
Ethyl 2-[(2-ethyl-9-fluoro-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate
CID 163780970
2-[(2-Ethyl-9-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid
CID 146982611
Methyl 2-[(2-ethyl-3-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate
CID 147304410
Methyl 2-[(9-chloro-2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate
CID 147503178
2-[(2-Ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid
CID 147610517
Methyl 2-[(2-ethyl-3-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate
CID 148673251

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate (CID 149299841) is methyl 2-[(2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate is CCc1cc(=O)n2cc(NC(C)(C)C(=O)OC)ccc2n1.
What is the InChIKey of methyl 2-[(2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate?
The InChIKey is XWNMLPXFIQISLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-5-10-8-13(19)18-9-11(6-7-12(18)16-10)17-15(2,3)14(20)21-4/h6-9,17H,5H2,1-4H3.
What are the key properties of methyl 2-[(2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate?
methyl 2-[(2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate has a molecular weight of 289.34 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate is sourced from PubChem (CID 149299841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).