methyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutanoate

C13H21N3O3 — CID 66326146

IUPACmethyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutanoate
SMILESCCOc1ncnc(NC(C(=O)OC)C(C)C)c1C
InChIInChI=1S/C13H21N3O3/c1-6-19-12-9(4)11(14-7-15-12)16-10(8(2)3)13(17)18-5/h7-8,10H,6H2,1-5H3,(H,14,15,16)
InChIKeyUVKLHEWATBIGIB-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.79
Rot. Bonds6

About methyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutanoate

methyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutanoate (PubChem CID 66326146) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutanoate
PubChem CID66326146
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Namemethyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutanoate
SMILESCCOc1ncnc(NC(C(=O)OC)C(C)C)c1C
InChIInChI=1S/C13H21N3O3/c1-6-19-12-9(4)11(14-7-15-12)16-10(8(2)3)13(17)18-5/h7-8,10H,6H2,1-5H3,(H,14,15,16)
InChIKeyUVKLHEWATBIGIB-UHFFFAOYSA-N
XLogP1.79
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutanoate?
The IUPAC name of methyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutanoate (CID 66326146) is methyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutanoate is CCOc1ncnc(NC(C(=O)OC)C(C)C)c1C.
What is the InChIKey of methyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutanoate?
The InChIKey is UVKLHEWATBIGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-6-19-12-9(4)11(14-7-15-12)16-10(8(2)3)13(17)18-5/h7-8,10H,6H2,1-5H3,(H,14,15,16).
What are the key properties of methyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutanoate?
methyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutanoate has a molecular weight of 267.33 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutanoate is sourced from PubChem (CID 66326146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).