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

C10H15N3O3 — CID 66317658

IUPAC2-[(6-ethoxypyrimidin-4-yl)-ethylamino]acetic acid
SMILESCCOc1cc(N(CC)CC(=O)O)ncn1
InChIInChI=1S/C10H15N3O3/c1-3-13(6-10(14)15)8-5-9(16-4-2)12-7-11-8/h5,7H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyXFZPBRBNVKQAAR-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.79
Rot. Bonds6

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

2-[(6-ethoxypyrimidin-4-yl)-ethylamino]acetic acid (PubChem CID 66317658) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[(6-ethoxypyrimidin-4-yl)-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[(6-ethoxypyrimidin-4-yl)-ethylamino]acetic acid
PubChem CID66317658
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-[(6-ethoxypyrimidin-4-yl)-ethylamino]acetic acid
SMILESCCOc1cc(N(CC)CC(=O)O)ncn1
InChIInChI=1S/C10H15N3O3/c1-3-13(6-10(14)15)8-5-9(16-4-2)12-7-11-8/h5,7H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyXFZPBRBNVKQAAR-UHFFFAOYSA-N
XLogP0.79
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(6-ethoxypyrimidin-4-yl)-ethylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethoxypyrimidin-4-yl)-ethylamino]acetic acid?
The IUPAC name of 2-[(6-ethoxypyrimidin-4-yl)-ethylamino]acetic acid (CID 66317658) is 2-[(6-ethoxypyrimidin-4-yl)-ethylamino]acetic acid.
What is the SMILES notation for 2-[(6-ethoxypyrimidin-4-yl)-ethylamino]acetic acid?
The canonical SMILES for 2-[(6-ethoxypyrimidin-4-yl)-ethylamino]acetic acid is CCOc1cc(N(CC)CC(=O)O)ncn1.
What is the InChIKey of 2-[(6-ethoxypyrimidin-4-yl)-ethylamino]acetic acid?
The InChIKey is XFZPBRBNVKQAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-13(6-10(14)15)8-5-9(16-4-2)12-7-11-8/h5,7H,3-4,6H2,1-2H3,(H,14,15).
What are the key properties of 2-[(6-ethoxypyrimidin-4-yl)-ethylamino]acetic acid?
2-[(6-ethoxypyrimidin-4-yl)-ethylamino]acetic acid has a molecular weight of 225.25 g/mol, XLogP of 0.79, 6 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)-ethylamino]acetic acid is sourced from PubChem (CID 66317658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).