propan-2-yl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)acetate

C10H13BrN2O3 — CID 66308786

IUPACpropan-2-yl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)acetate
SMILESCc1ncc(Br)c(=O)n1CC(=O)OC(C)C
InChIInChI=1S/C10H13BrN2O3/c1-6(2)16-9(14)5-13-7(3)12-4-8(11)10(13)15/h4,6H,5H2,1-3H3
InChIKeyNCFGCQULSYBHCA-UHFFFAOYSA-N
MW289.13 g/mol
LogP1.27
Rot. Bonds3

About propan-2-yl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)acetate

propan-2-yl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)acetate (PubChem CID 66308786) has the molecular formula C10H13BrN2O3 and a molecular weight of 289.13 g/mol. Its IUPAC name is propan-2-yl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)acetate
PubChem CID66308786
Molecular FormulaC10H13BrN2O3
Molecular Weight289.13 g/mol
Exact Mass288.01
IUPAC Namepropan-2-yl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)acetate
SMILESCc1ncc(Br)c(=O)n1CC(=O)OC(C)C
InChIInChI=1S/C10H13BrN2O3/c1-6(2)16-9(14)5-13-7(3)12-4-8(11)10(13)15/h4,6H,5H2,1-3H3
InChIKeyNCFGCQULSYBHCA-UHFFFAOYSA-N
XLogP1.27
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)acetate?
The IUPAC name of propan-2-yl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)acetate (CID 66308786) is propan-2-yl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)acetate?
The canonical SMILES for propan-2-yl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)acetate is Cc1ncc(Br)c(=O)n1CC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)acetate?
The InChIKey is NCFGCQULSYBHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3/c1-6(2)16-9(14)5-13-7(3)12-4-8(11)10(13)15/h4,6H,5H2,1-3H3.
What are the key properties of propan-2-yl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)acetate?
propan-2-yl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)acetate has a molecular weight of 289.13 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)acetate is sourced from PubChem (CID 66308786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).