methyl 3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanoate

C11H15BrN2O3 — CID 79629671

IUPACmethyl 3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)Cn1c(C)ncc(Br)c1=O
InChIInChI=1S/C11H15BrN2O3/c1-7-13-5-8(12)9(15)14(7)6-11(2,3)10(16)17-4/h5H,6H2,1-4H3
InChIKeySLEBYCGFQRXRSK-UHFFFAOYSA-N
MW303.16 g/mol
LogP1.51
Rot. Bonds3

About methyl 3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanoate

methyl 3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanoate (PubChem CID 79629671) has the molecular formula C11H15BrN2O3 and a molecular weight of 303.16 g/mol. Its IUPAC name is methyl 3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanoate
PubChem CID79629671
Molecular FormulaC11H15BrN2O3
Molecular Weight303.16 g/mol
Exact Mass302.03
IUPAC Namemethyl 3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)Cn1c(C)ncc(Br)c1=O
InChIInChI=1S/C11H15BrN2O3/c1-7-13-5-8(12)9(15)14(7)6-11(2,3)10(16)17-4/h5H,6H2,1-4H3
InChIKeySLEBYCGFQRXRSK-UHFFFAOYSA-N
XLogP1.51
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanoate (CID 79629671) is methyl 3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanoate is COC(=O)C(C)(C)Cn1c(C)ncc(Br)c1=O.
What is the InChIKey of methyl 3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanoate?
The InChIKey is SLEBYCGFQRXRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3/c1-7-13-5-8(12)9(15)14(7)6-11(2,3)10(16)17-4/h5H,6H2,1-4H3.
What are the key properties of methyl 3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanoate?
methyl 3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanoate has a molecular weight of 303.16 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-2,2-dimethylpropanoate is sourced from PubChem (CID 79629671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).