4-[5-ethoxycarbonyl-6-(4-methoxyphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid

C19H24N2O6 — CID 5461561

IUPAC4-[5-ethoxycarbonyl-6-(4-methoxyphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid
SMILESCCOC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c1ccc(OC)cc1
InChIInChI=1S/C19H24N2O6/c1-4-27-18(24)16-12(2)21(11-5-6-15(22)23)19(25)20-17(16)13-7-9-14(26-3)10-8-13/h7-10,17H,4-6,11H2,1-3H3,(H,20,25)(H,22,23)
InChIKeyRRUFRPJCEPDUMS-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.46
Rot. Bonds8

About 4-[5-ethoxycarbonyl-6-(4-methoxyphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid

4-[5-ethoxycarbonyl-6-(4-methoxyphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid (PubChem CID 5461561) has the molecular formula C19H24N2O6 and a molecular weight of 376.41 g/mol. Its IUPAC name is 4-[5-ethoxycarbonyl-6-(4-methoxyphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-ethoxycarbonyl-6-(4-methoxyphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid
PubChem CID5461561
Molecular FormulaC19H24N2O6
Molecular Weight376.41 g/mol
Exact Mass376.16
IUPAC Name4-[5-ethoxycarbonyl-6-(4-methoxyphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid
SMILESCCOC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c1ccc(OC)cc1
InChIInChI=1S/C19H24N2O6/c1-4-27-18(24)16-12(2)21(11-5-6-15(22)23)19(25)20-17(16)13-7-9-14(26-3)10-8-13/h7-10,17H,4-6,11H2,1-3H3,(H,20,25)(H,22,23)
InChIKeyRRUFRPJCEPDUMS-UHFFFAOYSA-N
XLogP2.46
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-ethoxycarbonyl-6-(4-methoxyphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid?
The IUPAC name of 4-[5-ethoxycarbonyl-6-(4-methoxyphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid (CID 5461561) is 4-[5-ethoxycarbonyl-6-(4-methoxyphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid.
What is the SMILES notation for 4-[5-ethoxycarbonyl-6-(4-methoxyphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid?
The canonical SMILES for 4-[5-ethoxycarbonyl-6-(4-methoxyphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid is CCOC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c1ccc(OC)cc1.
What is the InChIKey of 4-[5-ethoxycarbonyl-6-(4-methoxyphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid?
The InChIKey is RRUFRPJCEPDUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6/c1-4-27-18(24)16-12(2)21(11-5-6-15(22)23)19(25)20-17(16)13-7-9-14(26-3)10-8-13/h7-10,17H,4-6,11H2,1-3H3,(H,20,25)(H,22,23).
What are the key properties of 4-[5-ethoxycarbonyl-6-(4-methoxyphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid?
4-[5-ethoxycarbonyl-6-(4-methoxyphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid has a molecular weight of 376.41 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-ethoxycarbonyl-6-(4-methoxyphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid is sourced from PubChem (CID 5461561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).