2-[(2-ethyl-9-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid

C15H19N3O3 — CID 153140610

IUPAC2-[(2-ethyl-9-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid
SMILESCCc1cc(=O)n2cc(NC(C)(C)C(=O)O)cc(C)c2n1
InChIInChI=1S/C15H19N3O3/c1-5-10-7-12(19)18-8-11(6-9(2)13(18)16-10)17-15(3,4)14(20)21/h6-8,17H,5H2,1-4H3,(H,20,21)
InChIKeyVYNYZCOHODIDTD-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.84
Rot. Bonds4

About 2-[(2-ethyl-9-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid

2-[(2-ethyl-9-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid (PubChem CID 153140610) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[(2-ethyl-9-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2-ethyl-9-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid
PubChem CID153140610
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name2-[(2-ethyl-9-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid
SMILESCCc1cc(=O)n2cc(NC(C)(C)C(=O)O)cc(C)c2n1
InChIInChI=1S/C15H19N3O3/c1-5-10-7-12(19)18-8-11(6-9(2)13(18)16-10)17-15(3,4)14(20)21/h6-8,17H,5H2,1-4H3,(H,20,21)
InChIKeyVYNYZCOHODIDTD-UHFFFAOYSA-N
XLogP1.84
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-9-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[(2-ethyl-9-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid (CID 153140610) is 2-[(2-ethyl-9-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2-ethyl-9-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2-ethyl-9-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid is CCc1cc(=O)n2cc(NC(C)(C)C(=O)O)cc(C)c2n1.
What is the InChIKey of 2-[(2-ethyl-9-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid?
The InChIKey is VYNYZCOHODIDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-5-10-7-12(19)18-8-11(6-9(2)13(18)16-10)17-15(3,4)14(20)21/h6-8,17H,5H2,1-4H3,(H,20,21).
What are the key properties of 2-[(2-ethyl-9-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid?
2-[(2-ethyl-9-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid has a molecular weight of 289.34 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-9-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 153140610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).