tert-butyl 2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoate

C13H20N2O4 — CID 79366754

IUPACtert-butyl 2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoate
SMILESCOc1nc(C)cc(=O)n1C(C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H20N2O4/c1-8-7-10(16)15(12(14-8)18-6)9(2)11(17)19-13(3,4)5/h7,9H,1-6H3
InChIKeyODYZGURYFAWKKJ-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.46
Rot. Bonds3

About tert-butyl 2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoate

tert-butyl 2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoate (PubChem CID 79366754) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is tert-butyl 2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoate.

Molecular Properties

Compound Nametert-butyl 2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoate
PubChem CID79366754
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Nametert-butyl 2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoate
SMILESCOc1nc(C)cc(=O)n1C(C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H20N2O4/c1-8-7-10(16)15(12(14-8)18-6)9(2)11(17)19-13(3,4)5/h7,9H,1-6H3
InChIKeyODYZGURYFAWKKJ-UHFFFAOYSA-N
XLogP1.46
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoate?
The IUPAC name of tert-butyl 2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoate (CID 79366754) is tert-butyl 2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoate.
What is the SMILES notation for tert-butyl 2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoate?
The canonical SMILES for tert-butyl 2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoate is COc1nc(C)cc(=O)n1C(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoate?
The InChIKey is ODYZGURYFAWKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-8-7-10(16)15(12(14-8)18-6)9(2)11(17)19-13(3,4)5/h7,9H,1-6H3.
What are the key properties of tert-butyl 2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoate?
tert-butyl 2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoate has a molecular weight of 268.31 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoate is sourced from PubChem (CID 79366754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).