ethyl 5-(4-methoxyphenyl)-2,7-dimethyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate

C19H20N2O5 — CID 14383570

IUPACethyl 5-(4-methoxyphenyl)-2,7-dimethyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C)Oc2nc(C)[nH]c(=O)c2C1c1ccc(OC)cc1
InChIInChI=1S/C19H20N2O5/c1-5-25-19(23)14-10(2)26-18-16(17(22)20-11(3)21-18)15(14)12-6-8-13(24-4)9-7-12/h6-9,15H,5H2,1-4H3,(H,20,21,22)
InChIKeyFCOAWVNGXBNKKL-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.45
Rot. Bonds4

About ethyl 5-(4-methoxyphenyl)-2,7-dimethyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate

ethyl 5-(4-methoxyphenyl)-2,7-dimethyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate (PubChem CID 14383570) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is ethyl 5-(4-methoxyphenyl)-2,7-dimethyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-methoxyphenyl)-2,7-dimethyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate
PubChem CID14383570
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Nameethyl 5-(4-methoxyphenyl)-2,7-dimethyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C)Oc2nc(C)[nH]c(=O)c2C1c1ccc(OC)cc1
InChIInChI=1S/C19H20N2O5/c1-5-25-19(23)14-10(2)26-18-16(17(22)20-11(3)21-18)15(14)12-6-8-13(24-4)9-7-12/h6-9,15H,5H2,1-4H3,(H,20,21,22)
InChIKeyFCOAWVNGXBNKKL-UHFFFAOYSA-N
XLogP2.45
TPSA90.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-methoxyphenyl)-2,7-dimethyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 5-(4-methoxyphenyl)-2,7-dimethyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate (CID 14383570) is ethyl 5-(4-methoxyphenyl)-2,7-dimethyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 5-(4-methoxyphenyl)-2,7-dimethyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 5-(4-methoxyphenyl)-2,7-dimethyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)C1=C(C)Oc2nc(C)[nH]c(=O)c2C1c1ccc(OC)cc1.
What is the InChIKey of ethyl 5-(4-methoxyphenyl)-2,7-dimethyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is FCOAWVNGXBNKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-5-25-19(23)14-10(2)26-18-16(17(22)20-11(3)21-18)15(14)12-6-8-13(24-4)9-7-12/h6-9,15H,5H2,1-4H3,(H,20,21,22).
What are the key properties of ethyl 5-(4-methoxyphenyl)-2,7-dimethyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate?
ethyl 5-(4-methoxyphenyl)-2,7-dimethyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 356.38 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-methoxyphenyl)-2,7-dimethyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 14383570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).