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

C10H15N3O3 — CID 126848396

IUPAC2-[[6-(ethoxymethyl)pyrimidin-4-yl]-methylamino]acetic acid
SMILESCCOCc1cc(N(C)CC(=O)O)ncn1
InChIInChI=1S/C10H15N3O3/c1-3-16-6-8-4-9(12-7-11-8)13(2)5-10(14)15/h4,7H,3,5-6H2,1-2H3,(H,14,15)
InChIKeyWLJCUROEJOWVGX-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.53
Rot. Bonds6

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

2-[[6-(ethoxymethyl)pyrimidin-4-yl]-methylamino]acetic acid (PubChem CID 126848396) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[[6-(ethoxymethyl)pyrimidin-4-yl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[6-(ethoxymethyl)pyrimidin-4-yl]-methylamino]acetic acid
PubChem CID126848396
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-[[6-(ethoxymethyl)pyrimidin-4-yl]-methylamino]acetic acid
SMILESCCOCc1cc(N(C)CC(=O)O)ncn1
InChIInChI=1S/C10H15N3O3/c1-3-16-6-8-4-9(12-7-11-8)13(2)5-10(14)15/h4,7H,3,5-6H2,1-2H3,(H,14,15)
InChIKeyWLJCUROEJOWVGX-UHFFFAOYSA-N
XLogP0.53
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 ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[6-(cyclopropylmethyl)pyrimidin-4-yl]-methylamino]acetic acid
CID 126848240
2-[methyl-(6-propoxypyrimidin-4-yl)amino]acetic acid
CID 66333585
2-[(6-tert-butylpyrimidin-4-yl)-methylamino]acetic acid
CID 126849037
2-[(6-cyclopropylpyrimidin-4-yl)-methylamino]acetic acid
CID 83833677
2-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]-methylamino]acetic acid
CID 120965297
2-[[6-(ethoxymethyl)pyrimidin-4-yl]amino]acetamide
CID 126848383
4-[methyl-(6-propylpyrimidin-4-yl)amino]butanoic acid
CID 61241091
ethyl 3-[(6-ethylpyrimidin-4-yl)-methylamino]propanoate
CID 62005021
2-[(6-ethylpyrimidin-4-yl)-propan-2-ylamino]acetic acid
CID 61235699
2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-methylamino]acetic acid
CID 99980296
2-[2-methoxyethyl-(6-propylpyrimidin-4-yl)amino]acetic acid
CID 54968848
benzyl 2-[[6-(ethoxymethyl)pyrimidin-4-yl]amino]acetate
CID 126849644

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(ethoxymethyl)pyrimidin-4-yl]-methylamino]acetic acid?
The IUPAC name of 2-[[6-(ethoxymethyl)pyrimidin-4-yl]-methylamino]acetic acid (CID 126848396) is 2-[[6-(ethoxymethyl)pyrimidin-4-yl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[6-(ethoxymethyl)pyrimidin-4-yl]-methylamino]acetic acid?
The canonical SMILES for 2-[[6-(ethoxymethyl)pyrimidin-4-yl]-methylamino]acetic acid is CCOCc1cc(N(C)CC(=O)O)ncn1.
What is the InChIKey of 2-[[6-(ethoxymethyl)pyrimidin-4-yl]-methylamino]acetic acid?
The InChIKey is WLJCUROEJOWVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-16-6-8-4-9(12-7-11-8)13(2)5-10(14)15/h4,7H,3,5-6H2,1-2H3,(H,14,15).
What are the key properties of 2-[[6-(ethoxymethyl)pyrimidin-4-yl]-methylamino]acetic acid?
2-[[6-(ethoxymethyl)pyrimidin-4-yl]-methylamino]acetic acid has a molecular weight of 225.25 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(ethoxymethyl)pyrimidin-4-yl]-methylamino]acetic acid is sourced from PubChem (CID 126848396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).