methyl 2-[(5-fluoro-4-pyridin-2-ylpyrimidin-2-yl)-methylamino]acetate

C13H13FN4O2 — CID 58905002

IUPACmethyl 2-[(5-fluoro-4-pyridin-2-ylpyrimidin-2-yl)-methylamino]acetate
SMILESCOC(=O)CN(C)c1ncc(F)c(-c2ccccn2)n1
InChIInChI=1S/C13H13FN4O2/c1-18(8-11(19)20-2)13-16-7-9(14)12(17-13)10-5-3-4-6-15-10/h3-7H,8H2,1-2H3
InChIKeyDUVPGFFFLRIISX-UHFFFAOYSA-N
MW276.27 g/mol
LogP1.29
Rot. Bonds4

About methyl 2-[(5-fluoro-4-pyridin-2-ylpyrimidin-2-yl)-methylamino]acetate

methyl 2-[(5-fluoro-4-pyridin-2-ylpyrimidin-2-yl)-methylamino]acetate (PubChem CID 58905002) has the molecular formula C13H13FN4O2 and a molecular weight of 276.27 g/mol. Its IUPAC name is methyl 2-[(5-fluoro-4-pyridin-2-ylpyrimidin-2-yl)-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-fluoro-4-pyridin-2-ylpyrimidin-2-yl)-methylamino]acetate
PubChem CID58905002
Molecular FormulaC13H13FN4O2
Molecular Weight276.27 g/mol
Exact Mass276.10
IUPAC Namemethyl 2-[(5-fluoro-4-pyridin-2-ylpyrimidin-2-yl)-methylamino]acetate
SMILESCOC(=O)CN(C)c1ncc(F)c(-c2ccccn2)n1
InChIInChI=1S/C13H13FN4O2/c1-18(8-11(19)20-2)13-16-7-9(14)12(17-13)10-5-3-4-6-15-10/h3-7H,8H2,1-2H3
InChIKeyDUVPGFFFLRIISX-UHFFFAOYSA-N
XLogP1.29
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-fluoro-4-pyridin-2-ylpyrimidin-2-yl)-methylamino]acetate?
The IUPAC name of methyl 2-[(5-fluoro-4-pyridin-2-ylpyrimidin-2-yl)-methylamino]acetate (CID 58905002) is methyl 2-[(5-fluoro-4-pyridin-2-ylpyrimidin-2-yl)-methylamino]acetate.
What is the SMILES notation for methyl 2-[(5-fluoro-4-pyridin-2-ylpyrimidin-2-yl)-methylamino]acetate?
The canonical SMILES for methyl 2-[(5-fluoro-4-pyridin-2-ylpyrimidin-2-yl)-methylamino]acetate is COC(=O)CN(C)c1ncc(F)c(-c2ccccn2)n1.
What is the InChIKey of methyl 2-[(5-fluoro-4-pyridin-2-ylpyrimidin-2-yl)-methylamino]acetate?
The InChIKey is DUVPGFFFLRIISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O2/c1-18(8-11(19)20-2)13-16-7-9(14)12(17-13)10-5-3-4-6-15-10/h3-7H,8H2,1-2H3.
What are the key properties of methyl 2-[(5-fluoro-4-pyridin-2-ylpyrimidin-2-yl)-methylamino]acetate?
methyl 2-[(5-fluoro-4-pyridin-2-ylpyrimidin-2-yl)-methylamino]acetate has a molecular weight of 276.27 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-fluoro-4-pyridin-2-ylpyrimidin-2-yl)-methylamino]acetate is sourced from PubChem (CID 58905002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).