2-[(6-ethoxypyrimidin-4-yl)-methylamino]acetic acid

C9H13N3O3 — CID 66318322

IUPAC2-[(6-ethoxypyrimidin-4-yl)-methylamino]acetic acid
SMILESCCOc1cc(N(C)CC(=O)O)ncn1
InChIInChI=1S/C9H13N3O3/c1-3-15-8-4-7(10-6-11-8)12(2)5-9(13)14/h4,6H,3,5H2,1-2H3,(H,13,14)
InChIKeyJCQADYLVKNBESZ-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.40
Rot. Bonds5

About 2-[(6-ethoxypyrimidin-4-yl)-methylamino]acetic acid

2-[(6-ethoxypyrimidin-4-yl)-methylamino]acetic acid (PubChem CID 66318322) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-[(6-ethoxypyrimidin-4-yl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(6-ethoxypyrimidin-4-yl)-methylamino]acetic acid
PubChem CID66318322
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-[(6-ethoxypyrimidin-4-yl)-methylamino]acetic acid
SMILESCCOc1cc(N(C)CC(=O)O)ncn1
InChIInChI=1S/C9H13N3O3/c1-3-15-8-4-7(10-6-11-8)12(2)5-9(13)14/h4,6H,3,5H2,1-2H3,(H,13,14)
InChIKeyJCQADYLVKNBESZ-UHFFFAOYSA-N
XLogP0.40
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethoxypyrimidin-4-yl)-methylamino]acetic acid?
The IUPAC name of 2-[(6-ethoxypyrimidin-4-yl)-methylamino]acetic acid (CID 66318322) is 2-[(6-ethoxypyrimidin-4-yl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(6-ethoxypyrimidin-4-yl)-methylamino]acetic acid?
The canonical SMILES for 2-[(6-ethoxypyrimidin-4-yl)-methylamino]acetic acid is CCOc1cc(N(C)CC(=O)O)ncn1.
What is the InChIKey of 2-[(6-ethoxypyrimidin-4-yl)-methylamino]acetic acid?
The InChIKey is JCQADYLVKNBESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-3-15-8-4-7(10-6-11-8)12(2)5-9(13)14/h4,6H,3,5H2,1-2H3,(H,13,14).
What are the key properties of 2-[(6-ethoxypyrimidin-4-yl)-methylamino]acetic acid?
2-[(6-ethoxypyrimidin-4-yl)-methylamino]acetic acid has a molecular weight of 211.22 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethoxypyrimidin-4-yl)-methylamino]acetic acid is sourced from PubChem (CID 66318322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).