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

C11H15N3O5 — CID 71376701

IUPAC2-[[4-(2-ethoxy-2-oxoethoxy)-6-methylpyrimidin-2-yl]amino]acetic acid
SMILESCCOC(=O)COc1cc(C)nc(NCC(=O)O)n1
InChIInChI=1S/C11H15N3O5/c1-3-18-10(17)6-19-8-4-7(2)13-11(14-8)12-5-9(15)16/h4H,3,5-6H2,1-2H3,(H,15,16)(H,12,13,14)
InChIKeyYVQFJTXLOBMVPK-UHFFFAOYSA-N
MW269.26 g/mol
LogP0.22
Rot. Bonds7

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

2-[[4-(2-ethoxy-2-oxoethoxy)-6-methylpyrimidin-2-yl]amino]acetic acid (PubChem CID 71376701) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-[[4-(2-ethoxy-2-oxoethoxy)-6-methylpyrimidin-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(2-ethoxy-2-oxoethoxy)-6-methylpyrimidin-2-yl]amino]acetic acid
PubChem CID71376701
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name2-[[4-(2-ethoxy-2-oxoethoxy)-6-methylpyrimidin-2-yl]amino]acetic acid
SMILESCCOC(=O)COc1cc(C)nc(NCC(=O)O)n1
InChIInChI=1S/C11H15N3O5/c1-3-18-10(17)6-19-8-4-7(2)13-11(14-8)12-5-9(15)16/h4H,3,5-6H2,1-2H3,(H,15,16)(H,12,13,14)
InChIKeyYVQFJTXLOBMVPK-UHFFFAOYSA-N
XLogP0.22
TPSA110.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[4-(2-ethoxy-2-oxoethoxy)-6-methylpyrimidin-2-yl]amino]acetic acid with MolForge

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Related Compounds

4-(2-Methoxyethoxy)-6-methylpyrimidin-2-amine
CID 3777900
methyl (2S)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutanoate
CID 851070
Acetic acid, [[6-methyl-2-(methylthio)-4-pyrimidinyl]oxy]-, methyl ester
CID 704438
4-(3-Methyl-propoxy)-2-isopropylamino-6-methyl pyrimidine
CID 58336918
Ethyl 2-[6-(trifluoromethyl)pyrimidin-4-yl]oxyacetate
CID 156739083
2-(6-Methyl-4-methoxypyrimidin-2-ylamino)ethyl acetate
CID 12139401
2-Methoxy-6-methyl-4-pyrimidinyl acetate
CID 14117591
(6-Methyl-2-methylthio-4-pyrimidinyloxy)acetic acid
CID 15047490
2-{[6-Methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]oxy}acetic acid
CID 71563746
2-((6-Methylpyrimidin-4-yl)oxy)acetic acid
CID 82413452
2-(4-Methoxy-6-methyl-pyrimidin-2-ylamino)ethanol
CID 94830500
2-{[2-Methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy}acetic acid
CID 94077273

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-ethoxy-2-oxoethoxy)-6-methylpyrimidin-2-yl]amino]acetic acid?
The IUPAC name of 2-[[4-(2-ethoxy-2-oxoethoxy)-6-methylpyrimidin-2-yl]amino]acetic acid (CID 71376701) is 2-[[4-(2-ethoxy-2-oxoethoxy)-6-methylpyrimidin-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[4-(2-ethoxy-2-oxoethoxy)-6-methylpyrimidin-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[4-(2-ethoxy-2-oxoethoxy)-6-methylpyrimidin-2-yl]amino]acetic acid is CCOC(=O)COc1cc(C)nc(NCC(=O)O)n1.
What is the InChIKey of 2-[[4-(2-ethoxy-2-oxoethoxy)-6-methylpyrimidin-2-yl]amino]acetic acid?
The InChIKey is YVQFJTXLOBMVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-3-18-10(17)6-19-8-4-7(2)13-11(14-8)12-5-9(15)16/h4H,3,5-6H2,1-2H3,(H,15,16)(H,12,13,14).
What are the key properties of 2-[[4-(2-ethoxy-2-oxoethoxy)-6-methylpyrimidin-2-yl]amino]acetic acid?
2-[[4-(2-ethoxy-2-oxoethoxy)-6-methylpyrimidin-2-yl]amino]acetic acid has a molecular weight of 269.26 g/mol, XLogP of 0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-ethoxy-2-oxoethoxy)-6-methylpyrimidin-2-yl]amino]acetic acid is sourced from PubChem (CID 71376701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).