ethyl 2-[(5-tert-butylpyrimidin-2-yl)-methylamino]acetate

C13H21N3O2 — CID 58333113

IUPACethyl 2-[(5-tert-butylpyrimidin-2-yl)-methylamino]acetate
SMILESCCOC(=O)CN(C)c1ncc(C(C)(C)C)cn1
InChIInChI=1S/C13H21N3O2/c1-6-18-11(17)9-16(5)12-14-7-10(8-15-12)13(2,3)4/h7-8H,6,9H2,1-5H3
InChIKeyVVVKIQWDDVGKEJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.77
Rot. Bonds4

About ethyl 2-[(5-tert-butylpyrimidin-2-yl)-methylamino]acetate

ethyl 2-[(5-tert-butylpyrimidin-2-yl)-methylamino]acetate (PubChem CID 58333113) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl 2-[(5-tert-butylpyrimidin-2-yl)-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-tert-butylpyrimidin-2-yl)-methylamino]acetate
PubChem CID58333113
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Nameethyl 2-[(5-tert-butylpyrimidin-2-yl)-methylamino]acetate
SMILESCCOC(=O)CN(C)c1ncc(C(C)(C)C)cn1
InChIInChI=1S/C13H21N3O2/c1-6-18-11(17)9-16(5)12-14-7-10(8-15-12)13(2,3)4/h7-8H,6,9H2,1-5H3
InChIKeyVVVKIQWDDVGKEJ-UHFFFAOYSA-N
XLogP1.77
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[methyl-(4-methylpyrimidin-2-yl)amino]acetate
CID 62958932
ethyl 4-[2-[2-[methyl(pyrimidin-2-yl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate
CID 43067977
ethyl 2-[(2-amino-1,3-thiazol-5-yl)-methylamino]acetate
CID 87186035
ethyl 2-[(5-tert-butyl-1H-1,2,4-triazole-3-carbonyl)-methylamino]acetate
CID 107858351
ethyl 2-[(4-cyanopyrimidin-2-yl)-methylamino]acetate
CID 107544034
methyl 2-[(5-bromopyrimidin-2-yl)-methylamino]acetate
CID 63872672
ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]acetate
CID 79718647
ethyl 2-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-methylamino]acetate
CID 107546994
methyl 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 60660073
ethyl 2-[(3-carbamothioylpyrazin-2-yl)-methylamino]acetate
CID 55103429
ethyl 2-[(5-fluoropyrimidin-2-yl)-propan-2-ylamino]acetate
CID 104606558
ethyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)-methylamino]acetate
CID 66327197

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-tert-butylpyrimidin-2-yl)-methylamino]acetate?
The IUPAC name of ethyl 2-[(5-tert-butylpyrimidin-2-yl)-methylamino]acetate (CID 58333113) is ethyl 2-[(5-tert-butylpyrimidin-2-yl)-methylamino]acetate.
What is the SMILES notation for ethyl 2-[(5-tert-butylpyrimidin-2-yl)-methylamino]acetate?
The canonical SMILES for ethyl 2-[(5-tert-butylpyrimidin-2-yl)-methylamino]acetate is CCOC(=O)CN(C)c1ncc(C(C)(C)C)cn1.
What is the InChIKey of ethyl 2-[(5-tert-butylpyrimidin-2-yl)-methylamino]acetate?
The InChIKey is VVVKIQWDDVGKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-6-18-11(17)9-16(5)12-14-7-10(8-15-12)13(2,3)4/h7-8H,6,9H2,1-5H3.
What are the key properties of ethyl 2-[(5-tert-butylpyrimidin-2-yl)-methylamino]acetate?
ethyl 2-[(5-tert-butylpyrimidin-2-yl)-methylamino]acetate has a molecular weight of 251.33 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-tert-butylpyrimidin-2-yl)-methylamino]acetate is sourced from PubChem (CID 58333113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).