ethyl 3-(4-chloro-6-ethyl-2-methylpyrimidin-5-yl)propanoate

C12H17ClN2O2 — CID 10400199

IUPACethyl 3-(4-chloro-6-ethyl-2-methylpyrimidin-5-yl)propanoate
SMILESCCOC(=O)CCc1c(Cl)nc(C)nc1CC
InChIInChI=1S/C12H17ClN2O2/c1-4-10-9(6-7-11(16)17-5-2)12(13)15-8(3)14-10/h4-7H2,1-3H3
InChIKeyIEIIQKMSXLKPLK-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.50
Rot. Bonds5

About ethyl 3-(4-chloro-6-ethyl-2-methylpyrimidin-5-yl)propanoate

ethyl 3-(4-chloro-6-ethyl-2-methylpyrimidin-5-yl)propanoate (PubChem CID 10400199) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is ethyl 3-(4-chloro-6-ethyl-2-methylpyrimidin-5-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(4-chloro-6-ethyl-2-methylpyrimidin-5-yl)propanoate
PubChem CID10400199
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Nameethyl 3-(4-chloro-6-ethyl-2-methylpyrimidin-5-yl)propanoate
SMILESCCOC(=O)CCc1c(Cl)nc(C)nc1CC
InChIInChI=1S/C12H17ClN2O2/c1-4-10-9(6-7-11(16)17-5-2)12(13)15-8(3)14-10/h4-7H2,1-3H3
InChIKeyIEIIQKMSXLKPLK-UHFFFAOYSA-N
XLogP2.50
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]butanoate
CID 64574900
ethyl 3-(7-bromo-3-chloroquinoxalin-2-yl)propanoate
CID 175048880
ethyl 3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)propanoate
CID 22930683
ethyl 2-(4-chloro-2-methylpyrimidin-5-yl)acetate
CID 26604
ethyl 3-[(6-chloro-2-methylpyrimidin-4-yl)amino]propanoate
CID 62481737
ethyl 3-(2-chloro-6-methoxyphenyl)propanoate
CID 134632461
ethyl 3-(4-amino-6-methylpyrimidin-5-yl)propanoate
CID 70859663
ethyl 4-(3-ethoxy-3-oxopropyl)-5-methyl-1H-pyrazole-3-carboxylate
CID 156825900
ethyl 5-chloro-4-(3-ethoxy-3-oxopropyl)-2-methylquinoline-3-carboxylate
CID 167448688
ethyl 3-(2,3,5,6-tetrabromo-4-methoxyphenyl)propanoate
CID 15890569
ethyl 1-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate
CID 133387283
ethyl 3-(3-chloronaphthalen-1-yl)propanoate
CID 175159774

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-chloro-6-ethyl-2-methylpyrimidin-5-yl)propanoate?
The IUPAC name of ethyl 3-(4-chloro-6-ethyl-2-methylpyrimidin-5-yl)propanoate (CID 10400199) is ethyl 3-(4-chloro-6-ethyl-2-methylpyrimidin-5-yl)propanoate.
What is the SMILES notation for ethyl 3-(4-chloro-6-ethyl-2-methylpyrimidin-5-yl)propanoate?
The canonical SMILES for ethyl 3-(4-chloro-6-ethyl-2-methylpyrimidin-5-yl)propanoate is CCOC(=O)CCc1c(Cl)nc(C)nc1CC.
What is the InChIKey of ethyl 3-(4-chloro-6-ethyl-2-methylpyrimidin-5-yl)propanoate?
The InChIKey is IEIIQKMSXLKPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-4-10-9(6-7-11(16)17-5-2)12(13)15-8(3)14-10/h4-7H2,1-3H3.
What are the key properties of ethyl 3-(4-chloro-6-ethyl-2-methylpyrimidin-5-yl)propanoate?
ethyl 3-(4-chloro-6-ethyl-2-methylpyrimidin-5-yl)propanoate has a molecular weight of 256.73 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-chloro-6-ethyl-2-methylpyrimidin-5-yl)propanoate is sourced from PubChem (CID 10400199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).