2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]acetic acid

C9H13N3O3 — CID 66332295

IUPAC2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]acetic acid
SMILESCCOc1cc(NCC(=O)O)nc(C)n1
InChIInChI=1S/C9H13N3O3/c1-3-15-8-4-7(10-5-9(13)14)11-6(2)12-8/h4H,3,5H2,1-2H3,(H,13,14)(H,10,11,12)
InChIKeyOVYMDRIIANZAEA-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.68
Rot. Bonds5

About 2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]acetic acid

2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]acetic acid (PubChem CID 66332295) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]acetic acid
PubChem CID66332295
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]acetic acid
SMILESCCOc1cc(NCC(=O)O)nc(C)n1
InChIInChI=1S/C9H13N3O3/c1-3-15-8-4-7(10-5-9(13)14)11-6(2)12-8/h4H,3,5H2,1-2H3,(H,13,14)(H,10,11,12)
InChIKeyOVYMDRIIANZAEA-UHFFFAOYSA-N
XLogP0.68
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]acetamide
CID 66325856
2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide
CID 114133921
2-[[(6-ethoxy-2-methylpyrimidin-4-yl)amino]methyl]-2-ethylbutanoic acid
CID 115430115
6-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4,4-dimethylhexanoic acid
CID 66332096
2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-2-methylpentanoic acid
CID 66332496
5-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-2-methylpentanoic acid
CID 113440784
1-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 66333915
N-butyl-6-ethoxy-2-methylpyrimidin-4-amine
CID 66327506
1-N-(6-ethoxy-2-methylpyrimidin-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 66324853
3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]propane-1,2-diol
CID 66326521
2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 66331276
4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]benzoic acid
CID 66331884

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]acetic acid (CID 66332295) is 2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]acetic acid is CCOc1cc(NCC(=O)O)nc(C)n1.
What is the InChIKey of 2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]acetic acid?
The InChIKey is OVYMDRIIANZAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-3-15-8-4-7(10-5-9(13)14)11-6(2)12-8/h4H,3,5H2,1-2H3,(H,13,14)(H,10,11,12).
What are the key properties of 2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]acetic acid?
2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]acetic acid has a molecular weight of 211.22 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 66332295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).