methyl 2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxyacetate

C15H15ClN2O3 — CID 95922488

IUPACmethyl 2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxyacetate
SMILESCOC(=O)COc1nc(-c2cccc(Cl)c2)nc(C)c1C
InChIInChI=1S/C15H15ClN2O3/c1-9-10(2)17-14(11-5-4-6-12(16)7-11)18-15(9)21-8-13(19)20-3/h4-7H,8H2,1-3H3
InChIKeyYYVUEANVXHKIJJ-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.97
Rot. Bonds4

About methyl 2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxyacetate

methyl 2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxyacetate (PubChem CID 95922488) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is methyl 2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxyacetate
PubChem CID95922488
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Namemethyl 2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxyacetate
SMILESCOC(=O)COc1nc(-c2cccc(Cl)c2)nc(C)c1C
InChIInChI=1S/C15H15ClN2O3/c1-9-10(2)17-14(11-5-4-6-12(16)7-11)18-15(9)21-8-13(19)20-3/h4-7H,8H2,1-3H3
InChIKeyYYVUEANVXHKIJJ-UHFFFAOYSA-N
XLogP2.97
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide
CID 95922480
2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxy-N-[(4-methylphenyl)methyl]acetamide
CID 95922483
2-(3-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine
CID 55045730
ethane;methyl 2-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]oxyacetate
CID 163289733
5-[[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxymethyl]-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole
CID 95922493
methyl 2-[[5-(3-chlorophenyl)-3-methylpyridine-2-carbonyl]amino]acetate
CID 155001310
3-(4-chlorophenyl)-5-[(5,6-dimethyl-2-phenylpyrimidin-4-yl)oxymethyl]-1,2-oxazole
CID 123676741
methyl (3R)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoate
CID 67070965
methyl 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenoxy]acetate
CID 90112439
methyl 2-[5-bromo-2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate
CID 148550488
1-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]pyrazole-3-carboxylic acid
CID 56767748
2-[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(3,4,5-trimethoxyphenyl)acetamide
CID 95922519

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxyacetate?
The IUPAC name of methyl 2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxyacetate (CID 95922488) is methyl 2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxyacetate.
What is the SMILES notation for methyl 2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxyacetate?
The canonical SMILES for methyl 2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxyacetate is COC(=O)COc1nc(-c2cccc(Cl)c2)nc(C)c1C.
What is the InChIKey of methyl 2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxyacetate?
The InChIKey is YYVUEANVXHKIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-9-10(2)17-14(11-5-4-6-12(16)7-11)18-15(9)21-8-13(19)20-3/h4-7H,8H2,1-3H3.
What are the key properties of methyl 2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxyacetate?
methyl 2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxyacetate has a molecular weight of 306.75 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxyacetate is sourced from PubChem (CID 95922488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).