ethyl 2-(4,6-dimethylpyrimidin-2-yl)prop-2-enoate

C11H14N2O2 — CID 134914810

IUPACethyl 2-(4,6-dimethylpyrimidin-2-yl)prop-2-enoate
SMILESC=C(C(=O)OCC)c1nc(C)cc(C)n1
InChIInChI=1S/C11H14N2O2/c1-5-15-11(14)9(4)10-12-7(2)6-8(3)13-10/h6H,4-5H2,1-3H3
InChIKeyPUAFYFGRXIODQW-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.67
Rot. Bonds3

About ethyl 2-(4,6-dimethylpyrimidin-2-yl)prop-2-enoate

ethyl 2-(4,6-dimethylpyrimidin-2-yl)prop-2-enoate (PubChem CID 134914810) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is ethyl 2-(4,6-dimethylpyrimidin-2-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-(4,6-dimethylpyrimidin-2-yl)prop-2-enoate
PubChem CID134914810
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Nameethyl 2-(4,6-dimethylpyrimidin-2-yl)prop-2-enoate
SMILESC=C(C(=O)OCC)c1nc(C)cc(C)n1
InChIInChI=1S/C11H14N2O2/c1-5-15-11(14)9(4)10-12-7(2)6-8(3)13-10/h6H,4-5H2,1-3H3
InChIKeyPUAFYFGRXIODQW-UHFFFAOYSA-N
XLogP1.67
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(4,6-Dimethylpyrimidin-2-yl)acetic acid
CID 19778895
Ethyl 2-(4,6-dimethylpyrimidin-2-yl)acetate
CID 2305661
Sodium 2-(4,6-dimethylpyrimidin-2-yl)acetate
CID 137703076
Ethyl 2-cyano-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]acetate hydrochloride salt
CID 66593642
Ethyl 2-cyano-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]acetate
CID 66593643
2-Ethoxycarbonylmethyl-1,4,6-trimethylpyrimidinium iodide
CID 10882249
2-Ethoxycarbonylmethyl-1-ethyl-4,6-dimethylpyrimidinium iodide
CID 11759879
ethyl (E)-3-(2,6-dimethylpyrimidin-4-yl)prop-2-enoate
CID 12749074
Ethyl 2-cyano-2-(4,6-dimethylpyrimidin-2-yl)acetate
CID 12915491
Ethyl 3-(4,6-dimethylpyrimidin-2-yl)prop-2-ynoate
CID 15013404
Ethyl 4,6-dimethylpyrimidine-2-carboxylate
CID 15186709
Methyl 3-(4,6-dimethylpyrimidin-2-yl)propanoate
CID 70098742

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4,6-dimethylpyrimidin-2-yl)prop-2-enoate?
The IUPAC name of ethyl 2-(4,6-dimethylpyrimidin-2-yl)prop-2-enoate (CID 134914810) is ethyl 2-(4,6-dimethylpyrimidin-2-yl)prop-2-enoate.
What is the SMILES notation for ethyl 2-(4,6-dimethylpyrimidin-2-yl)prop-2-enoate?
The canonical SMILES for ethyl 2-(4,6-dimethylpyrimidin-2-yl)prop-2-enoate is C=C(C(=O)OCC)c1nc(C)cc(C)n1.
What is the InChIKey of ethyl 2-(4,6-dimethylpyrimidin-2-yl)prop-2-enoate?
The InChIKey is PUAFYFGRXIODQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-5-15-11(14)9(4)10-12-7(2)6-8(3)13-10/h6H,4-5H2,1-3H3.
What are the key properties of ethyl 2-(4,6-dimethylpyrimidin-2-yl)prop-2-enoate?
ethyl 2-(4,6-dimethylpyrimidin-2-yl)prop-2-enoate has a molecular weight of 206.24 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4,6-dimethylpyrimidin-2-yl)prop-2-enoate is sourced from PubChem (CID 134914810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).