methyl 2-(5-fluoro-1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetate

C12H16FN3O4 — CID 57388476

IUPACmethyl 2-(5-fluoro-1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetate
SMILESCOC(=O)Cc1nc(N2CCOCC2)c(F)c(=O)n1C
InChIInChI=1S/C12H16FN3O4/c1-15-8(7-9(17)19-2)14-11(10(13)12(15)18)16-3-5-20-6-4-16/h3-7H2,1-2H3
InChIKeyAFRWHEQFVYXEAM-UHFFFAOYSA-N
MW285.27 g/mol
LogP-0.53
Rot. Bonds3

About methyl 2-(5-fluoro-1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetate

methyl 2-(5-fluoro-1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetate (PubChem CID 57388476) has the molecular formula C12H16FN3O4 and a molecular weight of 285.27 g/mol. Its IUPAC name is methyl 2-(5-fluoro-1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-fluoro-1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetate
PubChem CID57388476
Molecular FormulaC12H16FN3O4
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Namemethyl 2-(5-fluoro-1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetate
SMILESCOC(=O)Cc1nc(N2CCOCC2)c(F)c(=O)n1C
InChIInChI=1S/C12H16FN3O4/c1-15-8(7-9(17)19-2)14-11(10(13)12(15)18)16-3-5-20-6-4-16/h3-7H2,1-2H3
InChIKeyAFRWHEQFVYXEAM-UHFFFAOYSA-N
XLogP-0.53
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-fluoro-1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetate?
The IUPAC name of methyl 2-(5-fluoro-1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetate (CID 57388476) is methyl 2-(5-fluoro-1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetate.
What is the SMILES notation for methyl 2-(5-fluoro-1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetate?
The canonical SMILES for methyl 2-(5-fluoro-1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetate is COC(=O)Cc1nc(N2CCOCC2)c(F)c(=O)n1C.
What is the InChIKey of methyl 2-(5-fluoro-1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetate?
The InChIKey is AFRWHEQFVYXEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O4/c1-15-8(7-9(17)19-2)14-11(10(13)12(15)18)16-3-5-20-6-4-16/h3-7H2,1-2H3.
What are the key properties of methyl 2-(5-fluoro-1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetate?
methyl 2-(5-fluoro-1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetate has a molecular weight of 285.27 g/mol, XLogP of -0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-fluoro-1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetate is sourced from PubChem (CID 57388476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).