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

C15H19N3O4 — CID 146982611

IUPAC2-[(2-ethyl-9-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid
SMILESCCc1cc(=O)n2cc(NC(C)(C)C(=O)O)cc(OC)c2n1
InChIInChI=1S/C15H19N3O4/c1-5-9-7-12(19)18-8-10(17-15(2,3)14(20)21)6-11(22-4)13(18)16-9/h6-8,17H,5H2,1-4H3,(H,20,21)
InChIKeyAOPNIKRZJMPKIY-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.54
Rot. Bonds5

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

2-[(2-ethyl-9-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid (PubChem CID 146982611) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-[(2-ethyl-9-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2-ethyl-9-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid
PubChem CID146982611
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name2-[(2-ethyl-9-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid
SMILESCCc1cc(=O)n2cc(NC(C)(C)C(=O)O)cc(OC)c2n1
InChIInChI=1S/C15H19N3O4/c1-5-9-7-12(19)18-8-10(17-15(2,3)14(20)21)6-11(22-4)13(18)16-9/h6-8,17H,5H2,1-4H3,(H,20,21)
InChIKeyAOPNIKRZJMPKIY-UHFFFAOYSA-N
XLogP1.54
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-9-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[(2-ethyl-9-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid (CID 146982611) is 2-[(2-ethyl-9-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2-ethyl-9-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2-ethyl-9-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid is CCc1cc(=O)n2cc(NC(C)(C)C(=O)O)cc(OC)c2n1.
What is the InChIKey of 2-[(2-ethyl-9-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid?
The InChIKey is AOPNIKRZJMPKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-5-9-7-12(19)18-8-10(17-15(2,3)14(20)21)6-11(22-4)13(18)16-9/h6-8,17H,5H2,1-4H3,(H,20,21).
What are the key properties of 2-[(2-ethyl-9-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid?
2-[(2-ethyl-9-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid has a molecular weight of 305.33 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-9-methoxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 146982611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).