methyl 3-(2,4-dichloropyrimidin-5-yl)-2-phenylpropanoate

C14H12Cl2N2O2 — CID 21044322

IUPACmethyl 3-(2,4-dichloropyrimidin-5-yl)-2-phenylpropanoate
SMILESCOC(=O)C(Cc1cnc(Cl)nc1Cl)c1ccccc1
InChIInChI=1S/C14H12Cl2N2O2/c1-20-13(19)11(9-5-3-2-4-6-9)7-10-8-17-14(16)18-12(10)15/h2-6,8,11H,7H2,1H3
InChIKeyBBUHOXYFMXFEHO-UHFFFAOYSA-N
MW311.17 g/mol
LogP3.28
Rot. Bonds4

About methyl 3-(2,4-dichloropyrimidin-5-yl)-2-phenylpropanoate

methyl 3-(2,4-dichloropyrimidin-5-yl)-2-phenylpropanoate (PubChem CID 21044322) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is methyl 3-(2,4-dichloropyrimidin-5-yl)-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-(2,4-dichloropyrimidin-5-yl)-2-phenylpropanoate
PubChem CID21044322
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Namemethyl 3-(2,4-dichloropyrimidin-5-yl)-2-phenylpropanoate
SMILESCOC(=O)C(Cc1cnc(Cl)nc1Cl)c1ccccc1
InChIInChI=1S/C14H12Cl2N2O2/c1-20-13(19)11(9-5-3-2-4-6-9)7-10-8-17-14(16)18-12(10)15/h2-6,8,11H,7H2,1H3
InChIKeyBBUHOXYFMXFEHO-UHFFFAOYSA-N
XLogP3.28
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-(2,4-dichloropyrimidin-5-yl)-2-phenylpropanoate 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

methyl 3-(2-iodophenyl)-2-phenylpropanoate
CID 10737594
methyl 2-(4-methoxyphenyl)-3-[4-(N-phenylanilino)pyrimidin-5-yl]propanoate
CID 69179896
methyl (2R)-3-amino-2-phenylpropanoate
CID 7183129
1-[3-(2,4-dichloropyrimidin-5-yl)-2-methylpropyl]-1-(4-methoxyphenyl)-3-phenylurea
CID 87956668
methyl 3-(1H-indol-3-yl)-2-phenylpropanoate
CID 134951107
methyl 2-phenyl-3-pyrazin-2-ylsulfanylpropanoate
CID 64566022
methyl 4-amino-2-phenylpentanoate
CID 57041145
methyl 2-phenyl-3-trimethylsilyloxypropanoate
CID 552740
methyl 3-(4-methylanilino)-2-phenylpropanoate
CID 64567482
methyl 3-[(5-bromo-2-pyridinyl)sulfanyl]-2-phenylpropanoate
CID 64566635
methyl 4-amino-2-phenylbutanoate;hydrochloride
CID 66905089
methyl 3-methylsulfinyl-2-phenylpropanoate
CID 64559431

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,4-dichloropyrimidin-5-yl)-2-phenylpropanoate?
The IUPAC name of methyl 3-(2,4-dichloropyrimidin-5-yl)-2-phenylpropanoate (CID 21044322) is methyl 3-(2,4-dichloropyrimidin-5-yl)-2-phenylpropanoate.
What is the SMILES notation for methyl 3-(2,4-dichloropyrimidin-5-yl)-2-phenylpropanoate?
The canonical SMILES for methyl 3-(2,4-dichloropyrimidin-5-yl)-2-phenylpropanoate is COC(=O)C(Cc1cnc(Cl)nc1Cl)c1ccccc1.
What is the InChIKey of methyl 3-(2,4-dichloropyrimidin-5-yl)-2-phenylpropanoate?
The InChIKey is BBUHOXYFMXFEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c1-20-13(19)11(9-5-3-2-4-6-9)7-10-8-17-14(16)18-12(10)15/h2-6,8,11H,7H2,1H3.
What are the key properties of methyl 3-(2,4-dichloropyrimidin-5-yl)-2-phenylpropanoate?
methyl 3-(2,4-dichloropyrimidin-5-yl)-2-phenylpropanoate has a molecular weight of 311.17 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,4-dichloropyrimidin-5-yl)-2-phenylpropanoate is sourced from PubChem (CID 21044322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).