ethyl 2-(5-bromo-6-methyl-2-phenylpyrimidin-4-yl)oxyacetate

C15H15BrN2O3 — CID 170790136

IUPACethyl 2-(5-bromo-6-methyl-2-phenylpyrimidin-4-yl)oxyacetate
SMILESCCOC(=O)COc1nc(-c2ccccc2)nc(C)c1Br
InChIInChI=1S/C15H15BrN2O3/c1-3-20-12(19)9-21-15-13(16)10(2)17-14(18-15)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3
InChIKeyBOMVOPVDLKAYJZ-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.16
Rot. Bonds5

About ethyl 2-(5-bromo-6-methyl-2-phenylpyrimidin-4-yl)oxyacetate

ethyl 2-(5-bromo-6-methyl-2-phenylpyrimidin-4-yl)oxyacetate (PubChem CID 170790136) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is ethyl 2-(5-bromo-6-methyl-2-phenylpyrimidin-4-yl)oxyacetate.

Molecular Properties

Compound Nameethyl 2-(5-bromo-6-methyl-2-phenylpyrimidin-4-yl)oxyacetate
PubChem CID170790136
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Nameethyl 2-(5-bromo-6-methyl-2-phenylpyrimidin-4-yl)oxyacetate
SMILESCCOC(=O)COc1nc(-c2ccccc2)nc(C)c1Br
InChIInChI=1S/C15H15BrN2O3/c1-3-20-12(19)9-21-15-13(16)10(2)17-14(18-15)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3
InChIKeyBOMVOPVDLKAYJZ-UHFFFAOYSA-N
XLogP3.16
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(2-phenylquinazolin-4-yl)oxyacetate
CID 741296
ethyl 2-(3-methylquinoxalin-2-yl)oxyacetate
CID 86157030
ethyl 2-(2,3-dibromo-4-phenylnaphthalen-1-yl)oxyacetate
CID 13373699
ethyl 2-[(3-bromo-4-methyl-2-pyridinyl)oxy]acetate
CID 164553275
ethyl 2-[(3-cyano-4-phenyl-2-pyridinyl)oxy]acetate
CID 130194329
ethyl 4,6-diphenyl-1,3,5-triazine-2-carboxylate
CID 555559
(2-ethoxy-2-oxoethyl) 4-phenylbenzoate
CID 78788675
ethyl 2-[2-(6-hydroxynaphthalen-2-yl)-6-phenylpyrimidin-4-yl]oxyacetate
CID 135932177
ethyl 2,6-diphenylpyrimidine-4-carboxylate
CID 15372800
ethyl 2-[4-[2-(4-bromophenyl)-1,2-diphenylethenyl]phenoxy]acetate
CID 141454766
ethyl 2-(2-phenylpyrimidin-4-yl)sulfanylacetate
CID 141154570
ethyl 2-[[26,27,28-tris(2-ethoxy-2-oxoethoxy)-5,11,17,23-tetraphenyl-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-25-yl]oxy]acetate
CID 101405265

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-bromo-6-methyl-2-phenylpyrimidin-4-yl)oxyacetate?
The IUPAC name of ethyl 2-(5-bromo-6-methyl-2-phenylpyrimidin-4-yl)oxyacetate (CID 170790136) is ethyl 2-(5-bromo-6-methyl-2-phenylpyrimidin-4-yl)oxyacetate.
What is the SMILES notation for ethyl 2-(5-bromo-6-methyl-2-phenylpyrimidin-4-yl)oxyacetate?
The canonical SMILES for ethyl 2-(5-bromo-6-methyl-2-phenylpyrimidin-4-yl)oxyacetate is CCOC(=O)COc1nc(-c2ccccc2)nc(C)c1Br.
What is the InChIKey of ethyl 2-(5-bromo-6-methyl-2-phenylpyrimidin-4-yl)oxyacetate?
The InChIKey is BOMVOPVDLKAYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-3-20-12(19)9-21-15-13(16)10(2)17-14(18-15)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3.
What are the key properties of ethyl 2-(5-bromo-6-methyl-2-phenylpyrimidin-4-yl)oxyacetate?
ethyl 2-(5-bromo-6-methyl-2-phenylpyrimidin-4-yl)oxyacetate has a molecular weight of 351.20 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-bromo-6-methyl-2-phenylpyrimidin-4-yl)oxyacetate is sourced from PubChem (CID 170790136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).