methyl 3-[2-(2,6-dimethylphenyl)pyrimidin-5-yl]propanoate

C16H18N2O2 — CID 144659274

IUPACmethyl 3-[2-(2,6-dimethylphenyl)pyrimidin-5-yl]propanoate
SMILESCOC(=O)CCc1cnc(-c2c(C)cccc2C)nc1
InChIInChI=1S/C16H18N2O2/c1-11-5-4-6-12(2)15(11)16-17-9-13(10-18-16)7-8-14(19)20-3/h4-6,9-10H,7-8H2,1-3H3
InChIKeyFBMLVUODNHCKEV-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.87
Rot. Bonds4

About methyl 3-[2-(2,6-dimethylphenyl)pyrimidin-5-yl]propanoate

methyl 3-[2-(2,6-dimethylphenyl)pyrimidin-5-yl]propanoate (PubChem CID 144659274) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl 3-[2-(2,6-dimethylphenyl)pyrimidin-5-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(2,6-dimethylphenyl)pyrimidin-5-yl]propanoate
PubChem CID144659274
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Namemethyl 3-[2-(2,6-dimethylphenyl)pyrimidin-5-yl]propanoate
SMILESCOC(=O)CCc1cnc(-c2c(C)cccc2C)nc1
InChIInChI=1S/C16H18N2O2/c1-11-5-4-6-12(2)15(11)16-17-9-13(10-18-16)7-8-14(19)20-3/h4-6,9-10H,7-8H2,1-3H3
InChIKeyFBMLVUODNHCKEV-UHFFFAOYSA-N
XLogP2.87
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2-chloropyrimidin-5-yl)propanoate
CID 146344248
methyl 3-pyrimidin-5-ylpropanoate
CID 18470121
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methyl 3-[6-(2-methylphenyl)quinolin-3-yl]propanoate
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(111C)methyl 3-pyridin-3-ylpropanoate
CID 11816043
benzamide;methyl 3-phenylpropanoate
CID 154677392
methyl 3-pyridin-4-ylpropanoate
CID 3704115
methyl 3-[1-(5-amino-2-pyridinyl)pyrazol-4-yl]propanoate
CID 58775787
methyl 3-(3,4-diaminophenyl)propanoate
CID 122514005
methyl 3-(8-methylquinolin-6-yl)propanoate
CID 82578281
methyl 2-(3-methoxy-3-oxopropyl)-3-methylbenzoate
CID 134633970
(3-methoxy-3-oxopropyl) 3-(3-aminophenyl)propanoate
CID 80701078

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(2,6-dimethylphenyl)pyrimidin-5-yl]propanoate?
The IUPAC name of methyl 3-[2-(2,6-dimethylphenyl)pyrimidin-5-yl]propanoate (CID 144659274) is methyl 3-[2-(2,6-dimethylphenyl)pyrimidin-5-yl]propanoate.
What is the SMILES notation for methyl 3-[2-(2,6-dimethylphenyl)pyrimidin-5-yl]propanoate?
The canonical SMILES for methyl 3-[2-(2,6-dimethylphenyl)pyrimidin-5-yl]propanoate is COC(=O)CCc1cnc(-c2c(C)cccc2C)nc1.
What is the InChIKey of methyl 3-[2-(2,6-dimethylphenyl)pyrimidin-5-yl]propanoate?
The InChIKey is FBMLVUODNHCKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-5-4-6-12(2)15(11)16-17-9-13(10-18-16)7-8-14(19)20-3/h4-6,9-10H,7-8H2,1-3H3.
What are the key properties of methyl 3-[2-(2,6-dimethylphenyl)pyrimidin-5-yl]propanoate?
methyl 3-[2-(2,6-dimethylphenyl)pyrimidin-5-yl]propanoate has a molecular weight of 270.33 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(2,6-dimethylphenyl)pyrimidin-5-yl]propanoate is sourced from PubChem (CID 144659274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).