methyl 3-(4-chloro-2-methylpyrimidin-5-yl)propanoate

C9H11ClN2O2 — CID 86147549

IUPACmethyl 3-(4-chloro-2-methylpyrimidin-5-yl)propanoate
SMILESCOC(=O)CCc1cnc(C)nc1Cl
InChIInChI=1S/C9H11ClN2O2/c1-6-11-5-7(9(10)12-6)3-4-8(13)14-2/h5H,3-4H2,1-2H3
InChIKeyXMQAUTHEJHOADB-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.54
Rot. Bonds3

About methyl 3-(4-chloro-2-methylpyrimidin-5-yl)propanoate

methyl 3-(4-chloro-2-methylpyrimidin-5-yl)propanoate (PubChem CID 86147549) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is methyl 3-(4-chloro-2-methylpyrimidin-5-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-chloro-2-methylpyrimidin-5-yl)propanoate
PubChem CID86147549
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Namemethyl 3-(4-chloro-2-methylpyrimidin-5-yl)propanoate
SMILESCOC(=O)CCc1cnc(C)nc1Cl
InChIInChI=1S/C9H11ClN2O2/c1-6-11-5-7(9(10)12-6)3-4-8(13)14-2/h5H,3-4H2,1-2H3
InChIKeyXMQAUTHEJHOADB-UHFFFAOYSA-N
XLogP1.54
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(4-chloro-2-phenylpyrimidin-5-yl)propanoate
CID 117225425
ethyl 2-(4-chloro-2-methylpyrimidin-5-yl)acetate
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(4-chloro-2-methylpyrimidin-5-yl) butanoate
CID 22079276
methyl 3-(2-chloropyrimidin-5-yl)propanoate
CID 146344248
methyl 3-[5-(3-methoxy-3-oxopropyl)pyrazin-2-yl]propanoate
CID 606437
methyl 3-[2-(chloromethyl)phenyl]propanoate
CID 70171313
methyl 2-[4-chloro-2-(2-methylpropyl)pyrimidin-5-yl]acetate
CID 117225349
4-chloro-2-methyl-5-(2-methylpropyl)pyrimidine
CID 117260673
methyl 3-(1,3-oxazol-2-yl)propanoate
CID 148550350
4-chloro-2-methylpyrimidin-5-ol
CID 45080200
methyl 3-(4,6-dichloro-2-methylquinolin-8-yl)propanoate
CID 82578256
methyl 3-(5-chloro-4-methoxy-2-methylphenyl)propanoate
CID 116927426

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-chloro-2-methylpyrimidin-5-yl)propanoate?
The IUPAC name of methyl 3-(4-chloro-2-methylpyrimidin-5-yl)propanoate (CID 86147549) is methyl 3-(4-chloro-2-methylpyrimidin-5-yl)propanoate.
What is the SMILES notation for methyl 3-(4-chloro-2-methylpyrimidin-5-yl)propanoate?
The canonical SMILES for methyl 3-(4-chloro-2-methylpyrimidin-5-yl)propanoate is COC(=O)CCc1cnc(C)nc1Cl.
What is the InChIKey of methyl 3-(4-chloro-2-methylpyrimidin-5-yl)propanoate?
The InChIKey is XMQAUTHEJHOADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-6-11-5-7(9(10)12-6)3-4-8(13)14-2/h5H,3-4H2,1-2H3.
What are the key properties of methyl 3-(4-chloro-2-methylpyrimidin-5-yl)propanoate?
methyl 3-(4-chloro-2-methylpyrimidin-5-yl)propanoate has a molecular weight of 214.65 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-chloro-2-methylpyrimidin-5-yl)propanoate is sourced from PubChem (CID 86147549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).