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

C15H18FN3O3 — CID 149381722

IUPACmethyl 2-[(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate
SMILESCCc1cc(=O)n2cc(NC(C)(C)C(=O)OC)cc(F)c2n1
InChIInChI=1S/C15H18FN3O3/c1-5-9-7-12(20)19-8-10(6-11(16)13(19)17-9)18-15(2,3)14(21)22-4/h6-8,18H,5H2,1-4H3
InChIKeyYLTYRNTUCXDDQR-UHFFFAOYSA-N
MW307.33 g/mol
LogP1.76
Rot. Bonds4

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

methyl 2-[(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate (PubChem CID 149381722) has the molecular formula C15H18FN3O3 and a molecular weight of 307.33 g/mol. Its IUPAC name is methyl 2-[(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate
PubChem CID149381722
Molecular FormulaC15H18FN3O3
Molecular Weight307.33 g/mol
Exact Mass307.13
IUPAC Namemethyl 2-[(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate
SMILESCCc1cc(=O)n2cc(NC(C)(C)C(=O)OC)cc(F)c2n1
InChIInChI=1S/C15H18FN3O3/c1-5-9-7-12(20)19-8-10(6-11(16)13(19)17-9)18-15(2,3)14(21)22-4/h6-8,18H,5H2,1-4H3
InChIKeyYLTYRNTUCXDDQR-UHFFFAOYSA-N
XLogP1.76
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate (CID 149381722) is methyl 2-[(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate is CCc1cc(=O)n2cc(NC(C)(C)C(=O)OC)cc(F)c2n1.
What is the InChIKey of methyl 2-[(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate?
The InChIKey is YLTYRNTUCXDDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3/c1-5-9-7-12(20)19-8-10(6-11(16)13(19)17-9)18-15(2,3)14(21)22-4/h6-8,18H,5H2,1-4H3.
What are the key properties of methyl 2-[(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate?
methyl 2-[(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate has a molecular weight of 307.33 g/mol, XLogP of 1.76, 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-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoate is sourced from PubChem (CID 149381722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).