methyl 2-[methyl-(5-pyridin-2-ylpyrimidin-2-yl)amino]acetate

C13H14N4O2 — CID 116978022

IUPACmethyl 2-[methyl-(5-pyridin-2-ylpyrimidin-2-yl)amino]acetate
SMILESCOC(=O)CN(C)c1ncc(-c2ccccn2)cn1
InChIInChI=1S/C13H14N4O2/c1-17(9-12(18)19-2)13-15-7-10(8-16-13)11-5-3-4-6-14-11/h3-8H,9H2,1-2H3
InChIKeyAZQHGNKTKGEFAA-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.15
Rot. Bonds4

About methyl 2-[methyl-(5-pyridin-2-ylpyrimidin-2-yl)amino]acetate

methyl 2-[methyl-(5-pyridin-2-ylpyrimidin-2-yl)amino]acetate (PubChem CID 116978022) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is methyl 2-[methyl-(5-pyridin-2-ylpyrimidin-2-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-(5-pyridin-2-ylpyrimidin-2-yl)amino]acetate
PubChem CID116978022
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Namemethyl 2-[methyl-(5-pyridin-2-ylpyrimidin-2-yl)amino]acetate
SMILESCOC(=O)CN(C)c1ncc(-c2ccccn2)cn1
InChIInChI=1S/C13H14N4O2/c1-17(9-12(18)19-2)13-15-7-10(8-16-13)11-5-3-4-6-14-11/h3-8H,9H2,1-2H3
InChIKeyAZQHGNKTKGEFAA-UHFFFAOYSA-N
XLogP1.15
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-(5-pyridin-2-ylpyrimidin-2-yl)amino]acetate?
The IUPAC name of methyl 2-[methyl-(5-pyridin-2-ylpyrimidin-2-yl)amino]acetate (CID 116978022) is methyl 2-[methyl-(5-pyridin-2-ylpyrimidin-2-yl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl-(5-pyridin-2-ylpyrimidin-2-yl)amino]acetate?
The canonical SMILES for methyl 2-[methyl-(5-pyridin-2-ylpyrimidin-2-yl)amino]acetate is COC(=O)CN(C)c1ncc(-c2ccccn2)cn1.
What is the InChIKey of methyl 2-[methyl-(5-pyridin-2-ylpyrimidin-2-yl)amino]acetate?
The InChIKey is AZQHGNKTKGEFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-17(9-12(18)19-2)13-15-7-10(8-16-13)11-5-3-4-6-14-11/h3-8H,9H2,1-2H3.
What are the key properties of methyl 2-[methyl-(5-pyridin-2-ylpyrimidin-2-yl)amino]acetate?
methyl 2-[methyl-(5-pyridin-2-ylpyrimidin-2-yl)amino]acetate has a molecular weight of 258.28 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-(5-pyridin-2-ylpyrimidin-2-yl)amino]acetate is sourced from PubChem (CID 116978022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).