ethyl 2-(5-bromo-2-ethoxy-4-methyl-6-oxopyrimidin-1-yl)acetate

C11H15BrN2O4 — CID 16737367

IUPACethyl 2-(5-bromo-2-ethoxy-4-methyl-6-oxopyrimidin-1-yl)acetate
SMILESCCOC(=O)Cn1c(OCC)nc(C)c(Br)c1=O
InChIInChI=1S/C11H15BrN2O4/c1-4-17-8(15)6-14-10(16)9(12)7(3)13-11(14)18-5-2/h4-6H2,1-3H3
InChIKeySZDSQEDMEBLQRN-UHFFFAOYSA-N
MW319.16 g/mol
LogP1.28
Rot. Bonds5

About ethyl 2-(5-bromo-2-ethoxy-4-methyl-6-oxopyrimidin-1-yl)acetate

ethyl 2-(5-bromo-2-ethoxy-4-methyl-6-oxopyrimidin-1-yl)acetate (PubChem CID 16737367) has the molecular formula C11H15BrN2O4 and a molecular weight of 319.16 g/mol. Its IUPAC name is ethyl 2-(5-bromo-2-ethoxy-4-methyl-6-oxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-bromo-2-ethoxy-4-methyl-6-oxopyrimidin-1-yl)acetate
PubChem CID16737367
Molecular FormulaC11H15BrN2O4
Molecular Weight319.16 g/mol
Exact Mass318.02
IUPAC Nameethyl 2-(5-bromo-2-ethoxy-4-methyl-6-oxopyrimidin-1-yl)acetate
SMILESCCOC(=O)Cn1c(OCC)nc(C)c(Br)c1=O
InChIInChI=1S/C11H15BrN2O4/c1-4-17-8(15)6-14-10(16)9(12)7(3)13-11(14)18-5-2/h4-6H2,1-3H3
InChIKeySZDSQEDMEBLQRN-UHFFFAOYSA-N
XLogP1.28
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-(5-bromo-2-ethoxy-4-methyl-6-oxopyrimidin-1-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl (5-bromo-6-methyl-2-methylsulfanyl-4-oxo-3,4-dihydro-3-pyrimidinyl)acetate
CID 129793814
Methyl (5-bromo-6-methyl-2-methylsulfanyl-4-oxo-3,4-dihydro-3-pyrimidinyl)acetate
CID 13491995
Ethyl 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-2-fluoroacetate
CID 81298161
Ethyl 2-(5-bromo-6-oxopyrimidin-1-yl)acetate
CID 66309540
Ethyl 2-[5-bromo-4-(bromomethyl)-2-methylsulfanyl-6-oxopyrimidin-1-yl]acetate
CID 177905500
Ethyl 2-[5-bromo-4-(bromomethyl)-6-oxopyrimidin-1-yl]acetate
CID 177906021
5-Bromo-3-(2-ethoxyethyl)-6-methylpyrimidin-4-one
CID 66308127
5-Bromo-3-(2-methoxyethyl)-6-methyl-3,4-dihydropyrimidin-4-one
CID 66308137
Methyl 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetate
CID 66308528
Propan-2-yl 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetate
CID 66308954
5-Bromo-6-methyl-3-(2-propan-2-yloxyethyl)pyrimidin-4-one
CID 66308983
Ethyl 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetate
CID 66309594

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-bromo-2-ethoxy-4-methyl-6-oxopyrimidin-1-yl)acetate?
The IUPAC name of ethyl 2-(5-bromo-2-ethoxy-4-methyl-6-oxopyrimidin-1-yl)acetate (CID 16737367) is ethyl 2-(5-bromo-2-ethoxy-4-methyl-6-oxopyrimidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(5-bromo-2-ethoxy-4-methyl-6-oxopyrimidin-1-yl)acetate?
The canonical SMILES for ethyl 2-(5-bromo-2-ethoxy-4-methyl-6-oxopyrimidin-1-yl)acetate is CCOC(=O)Cn1c(OCC)nc(C)c(Br)c1=O.
What is the InChIKey of ethyl 2-(5-bromo-2-ethoxy-4-methyl-6-oxopyrimidin-1-yl)acetate?
The InChIKey is SZDSQEDMEBLQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O4/c1-4-17-8(15)6-14-10(16)9(12)7(3)13-11(14)18-5-2/h4-6H2,1-3H3.
What are the key properties of ethyl 2-(5-bromo-2-ethoxy-4-methyl-6-oxopyrimidin-1-yl)acetate?
ethyl 2-(5-bromo-2-ethoxy-4-methyl-6-oxopyrimidin-1-yl)acetate has a molecular weight of 319.16 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-bromo-2-ethoxy-4-methyl-6-oxopyrimidin-1-yl)acetate is sourced from PubChem (CID 16737367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).