methyl 2-[(2-ethoxy-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate

C15H18FN3O4 — CID 153129342

IUPACmethyl 2-[(2-ethoxy-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate
SMILESCCOc1cc(=O)n2cc(NC(C)(C)C(=O)OC)cc(F)c2n1
InChIInChI=1S/C15H18FN3O4/c1-5-23-11-7-12(20)19-8-9(6-10(16)13(19)17-11)18-15(2,3)14(21)22-4/h6-8,18H,5H2,1-4H3
InChIKeyVWKULKFHCFTFOE-UHFFFAOYSA-N
MW323.32 g/mol
LogP1.60
Rot. Bonds5

About methyl 2-[(2-ethoxy-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate

methyl 2-[(2-ethoxy-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate (PubChem CID 153129342) has the molecular formula C15H18FN3O4 and a molecular weight of 323.32 g/mol. Its IUPAC name is methyl 2-[(2-ethoxy-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(2-ethoxy-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate
PubChem CID153129342
Molecular FormulaC15H18FN3O4
Molecular Weight323.32 g/mol
Exact Mass323.13
IUPAC Namemethyl 2-[(2-ethoxy-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate
SMILESCCOc1cc(=O)n2cc(NC(C)(C)C(=O)OC)cc(F)c2n1
InChIInChI=1S/C15H18FN3O4/c1-5-23-11-7-12(20)19-8-9(6-10(16)13(19)17-11)18-15(2,3)14(21)22-4/h6-8,18H,5H2,1-4H3
InChIKeyVWKULKFHCFTFOE-UHFFFAOYSA-N
XLogP1.60
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-ethoxy-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(2-ethoxy-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate (CID 153129342) is methyl 2-[(2-ethoxy-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(2-ethoxy-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(2-ethoxy-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate is CCOc1cc(=O)n2cc(NC(C)(C)C(=O)OC)cc(F)c2n1.
What is the InChIKey of methyl 2-[(2-ethoxy-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate?
The InChIKey is VWKULKFHCFTFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O4/c1-5-23-11-7-12(20)19-8-9(6-10(16)13(19)17-11)18-15(2,3)14(21)22-4/h6-8,18H,5H2,1-4H3.
What are the key properties of methyl 2-[(2-ethoxy-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate?
methyl 2-[(2-ethoxy-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate has a molecular weight of 323.32 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-ethoxy-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate is sourced from PubChem (CID 153129342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).