ethyl 4-(2-ethoxycarbonylprop-2-enyl)-2,6-dimethoxypyrimidine-5-carboxylate

C15H20N2O6 — CID 134975315

IUPACethyl 4-(2-ethoxycarbonylprop-2-enyl)-2,6-dimethoxypyrimidine-5-carboxylate
SMILESC=C(Cc1nc(OC)nc(OC)c1C(=O)OCC)C(=O)OCC
InChIInChI=1S/C15H20N2O6/c1-6-22-13(18)9(3)8-10-11(14(19)23-7-2)12(20-4)17-15(16-10)21-5/h3,6-8H2,1-2,4-5H3
InChIKeyPBFVYOOTJJWSKA-UHFFFAOYSA-N
MW324.33 g/mol
LogP1.33
Rot. Bonds8

About ethyl 4-(2-ethoxycarbonylprop-2-enyl)-2,6-dimethoxypyrimidine-5-carboxylate

ethyl 4-(2-ethoxycarbonylprop-2-enyl)-2,6-dimethoxypyrimidine-5-carboxylate (PubChem CID 134975315) has the molecular formula C15H20N2O6 and a molecular weight of 324.33 g/mol. Its IUPAC name is ethyl 4-(2-ethoxycarbonylprop-2-enyl)-2,6-dimethoxypyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-ethoxycarbonylprop-2-enyl)-2,6-dimethoxypyrimidine-5-carboxylate
PubChem CID134975315
Molecular FormulaC15H20N2O6
Molecular Weight324.33 g/mol
Exact Mass324.13
IUPAC Nameethyl 4-(2-ethoxycarbonylprop-2-enyl)-2,6-dimethoxypyrimidine-5-carboxylate
SMILESC=C(Cc1nc(OC)nc(OC)c1C(=O)OCC)C(=O)OCC
InChIInChI=1S/C15H20N2O6/c1-6-22-13(18)9(3)8-10-11(14(19)23-7-2)12(20-4)17-15(16-10)21-5/h3,6-8H2,1-2,4-5H3
InChIKeyPBFVYOOTJJWSKA-UHFFFAOYSA-N
XLogP1.33
TPSA96.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze ethyl 4-(2-ethoxycarbonylprop-2-enyl)-2,6-dimethoxypyrimidine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(Acetyloxymethyl)-3-(2,6-dimethoxy-5-methylpyrimidin-4-yl)-2-fluoropropyl] acetate
CID 56658402
4-Ethyl-6-methoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 90091822
Ethyl 2,4-dimethoxy-6-prop-2-enylpyrimidine-5-carboxylate
CID 121015747
4-Cyclopropyl-6-methoxypyrimidine-5-carboxylic acid
CID 82401433
2-Cyclopropyl-4-methoxy-6-(2-methylpropyl)pyrimidine-5-carbaldehyde
CID 87815027
2,4-Dimethoxy-6-(2-methylpropyl)pyrimidine-5-carbaldehyde
CID 87977002
Ethyl 2,4-dimethoxy-6-methylpyrimidine-5-carboxylate
CID 123833123
Acetyl 4-methoxy-2-methyl-6-piperidin-4-ylpyrimidine-5-carboxylate
CID 144611055
1-(4-Butoxy-2-chloro-6-methylpyrimidin-5-yl)propan-1-one
CID 170185896
4-Cyclopentyl-6-methoxy-2-methylpyrimidine-5-carboxylic acid
CID 82389261
4-Tert-butyl-6-methoxy-2-methylpyrimidine-5-carboxylic acid
CID 82391850
4-Methoxy-2-methyl-6-propan-2-ylpyrimidine-5-carboxylic acid
CID 82394895

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-ethoxycarbonylprop-2-enyl)-2,6-dimethoxypyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(2-ethoxycarbonylprop-2-enyl)-2,6-dimethoxypyrimidine-5-carboxylate (CID 134975315) is ethyl 4-(2-ethoxycarbonylprop-2-enyl)-2,6-dimethoxypyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(2-ethoxycarbonylprop-2-enyl)-2,6-dimethoxypyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(2-ethoxycarbonylprop-2-enyl)-2,6-dimethoxypyrimidine-5-carboxylate is C=C(Cc1nc(OC)nc(OC)c1C(=O)OCC)C(=O)OCC.
What is the InChIKey of ethyl 4-(2-ethoxycarbonylprop-2-enyl)-2,6-dimethoxypyrimidine-5-carboxylate?
The InChIKey is PBFVYOOTJJWSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O6/c1-6-22-13(18)9(3)8-10-11(14(19)23-7-2)12(20-4)17-15(16-10)21-5/h3,6-8H2,1-2,4-5H3.
What are the key properties of ethyl 4-(2-ethoxycarbonylprop-2-enyl)-2,6-dimethoxypyrimidine-5-carboxylate?
ethyl 4-(2-ethoxycarbonylprop-2-enyl)-2,6-dimethoxypyrimidine-5-carboxylate has a molecular weight of 324.33 g/mol, XLogP of 1.33, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-ethoxycarbonylprop-2-enyl)-2,6-dimethoxypyrimidine-5-carboxylate is sourced from PubChem (CID 134975315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).