ethyl 2,4-dimethoxy-6-prop-2-enylpyrimidine-5-carboxylate

C12H16N2O4 — CID 121015747

IUPACethyl 2,4-dimethoxy-6-prop-2-enylpyrimidine-5-carboxylate
SMILESC=CCc1nc(OC)nc(OC)c1C(=O)OCC
InChIInChI=1S/C12H16N2O4/c1-5-7-8-9(11(15)18-6-2)10(16-3)14-12(13-8)17-4/h5H,1,6-7H2,2-4H3
InChIKeySCMWOWYPANFEHD-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.40
Rot. Bonds6

About ethyl 2,4-dimethoxy-6-prop-2-enylpyrimidine-5-carboxylate

ethyl 2,4-dimethoxy-6-prop-2-enylpyrimidine-5-carboxylate (PubChem CID 121015747) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is ethyl 2,4-dimethoxy-6-prop-2-enylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-dimethoxy-6-prop-2-enylpyrimidine-5-carboxylate
PubChem CID121015747
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Nameethyl 2,4-dimethoxy-6-prop-2-enylpyrimidine-5-carboxylate
SMILESC=CCc1nc(OC)nc(OC)c1C(=O)OCC
InChIInChI=1S/C12H16N2O4/c1-5-7-8-9(11(15)18-6-2)10(16-3)14-12(13-8)17-4/h5H,1,6-7H2,2-4H3
InChIKeySCMWOWYPANFEHD-UHFFFAOYSA-N
XLogP1.40
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 4-(2-ethoxycarbonylprop-2-enyl)-2,6-dimethoxypyrimidine-5-carboxylate
CID 134975315
Methyl 2,4-dimethoxy-6-methylpyrimidine-5-carboxylate
CID 14222966
4-Ethyl-6-methoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 90091822
4-Ethoxy-6-ethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 150000717
2-Chloro-4-methoxy-6-methyl-pyrimidine-5-carboxylic acid methyl ester
CID 57531430
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
Ethyl 4-methoxy-2,6-dimethylpyrimidine-5-carboxylate
CID 151266109
1-(4-Butoxy-2-chloro-6-methylpyrimidin-5-yl)propan-1-one
CID 170185896

Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-dimethoxy-6-prop-2-enylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2,4-dimethoxy-6-prop-2-enylpyrimidine-5-carboxylate (CID 121015747) is ethyl 2,4-dimethoxy-6-prop-2-enylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2,4-dimethoxy-6-prop-2-enylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2,4-dimethoxy-6-prop-2-enylpyrimidine-5-carboxylate is C=CCc1nc(OC)nc(OC)c1C(=O)OCC.
What is the InChIKey of ethyl 2,4-dimethoxy-6-prop-2-enylpyrimidine-5-carboxylate?
The InChIKey is SCMWOWYPANFEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-5-7-8-9(11(15)18-6-2)10(16-3)14-12(13-8)17-4/h5H,1,6-7H2,2-4H3.
What are the key properties of ethyl 2,4-dimethoxy-6-prop-2-enylpyrimidine-5-carboxylate?
ethyl 2,4-dimethoxy-6-prop-2-enylpyrimidine-5-carboxylate has a molecular weight of 252.27 g/mol, XLogP of 1.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-dimethoxy-6-prop-2-enylpyrimidine-5-carboxylate is sourced from PubChem (CID 121015747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).