ethyl 6-methyl-4-oxo-3-[(E)-3-phenylprop-2-enyl]furo[2,3-d]pyrimidine-5-carboxylate

C19H18N2O4 — CID 9381194

IUPACethyl 6-methyl-4-oxo-3-[(E)-3-phenylprop-2-enyl]furo[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2ncn(C/C=C/c3ccccc3)c(=O)c12
InChIInChI=1S/C19H18N2O4/c1-3-24-19(23)15-13(2)25-17-16(15)18(22)21(12-20-17)11-7-10-14-8-5-4-6-9-14/h4-10,12H,3,11H2,1-2H3/b10-7+
InChIKeyIUXNHBXXMFMYMG-JXMROGBWSA-N
MW338.36 g/mol
LogP3.19
Rot. Bonds5

About ethyl 6-methyl-4-oxo-3-[(E)-3-phenylprop-2-enyl]furo[2,3-d]pyrimidine-5-carboxylate

ethyl 6-methyl-4-oxo-3-[(E)-3-phenylprop-2-enyl]furo[2,3-d]pyrimidine-5-carboxylate (PubChem CID 9381194) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is ethyl 6-methyl-4-oxo-3-[(E)-3-phenylprop-2-enyl]furo[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-4-oxo-3-[(E)-3-phenylprop-2-enyl]furo[2,3-d]pyrimidine-5-carboxylate
PubChem CID9381194
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Nameethyl 6-methyl-4-oxo-3-[(E)-3-phenylprop-2-enyl]furo[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2ncn(C/C=C/c3ccccc3)c(=O)c12
InChIInChI=1S/C19H18N2O4/c1-3-24-19(23)15-13(2)25-17-16(15)18(22)21(12-20-17)11-7-10-14-8-5-4-6-9-14/h4-10,12H,3,11H2,1-2H3/b10-7+
InChIKeyIUXNHBXXMFMYMG-JXMROGBWSA-N
XLogP3.19
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-4-oxo-3-[(E)-3-phenylprop-2-enyl]furo[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-methyl-4-oxo-3-[(E)-3-phenylprop-2-enyl]furo[2,3-d]pyrimidine-5-carboxylate (CID 9381194) is ethyl 6-methyl-4-oxo-3-[(E)-3-phenylprop-2-enyl]furo[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-methyl-4-oxo-3-[(E)-3-phenylprop-2-enyl]furo[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-methyl-4-oxo-3-[(E)-3-phenylprop-2-enyl]furo[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1c(C)oc2ncn(C/C=C/c3ccccc3)c(=O)c12.
What is the InChIKey of ethyl 6-methyl-4-oxo-3-[(E)-3-phenylprop-2-enyl]furo[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is IUXNHBXXMFMYMG-JXMROGBWSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-3-24-19(23)15-13(2)25-17-16(15)18(22)21(12-20-17)11-7-10-14-8-5-4-6-9-14/h4-10,12H,3,11H2,1-2H3/b10-7+.
What are the key properties of ethyl 6-methyl-4-oxo-3-[(E)-3-phenylprop-2-enyl]furo[2,3-d]pyrimidine-5-carboxylate?
ethyl 6-methyl-4-oxo-3-[(E)-3-phenylprop-2-enyl]furo[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 338.36 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-4-oxo-3-[(E)-3-phenylprop-2-enyl]furo[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 9381194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).