5-acetyl-6-ethoxy-4-(2-hydroxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one

C14H16N2O4 — CID 122379089

IUPAC5-acetyl-6-ethoxy-4-(2-hydroxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one
SMILESCCOC1=C(C(C)=O)C(c2ccccc2O)NC(=O)N1
InChIInChI=1S/C14H16N2O4/c1-3-20-13-11(8(2)17)12(15-14(19)16-13)9-6-4-5-7-10(9)18/h4-7,12,18H,3H2,1-2H3,(H2,15,16,19)
InChIKeyDZNFNTFZRDVSCW-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.58
Rot. Bonds4

About 5-acetyl-6-ethoxy-4-(2-hydroxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one

5-acetyl-6-ethoxy-4-(2-hydroxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 122379089) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 5-acetyl-6-ethoxy-4-(2-hydroxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-acetyl-6-ethoxy-4-(2-hydroxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID122379089
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name5-acetyl-6-ethoxy-4-(2-hydroxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one
SMILESCCOC1=C(C(C)=O)C(c2ccccc2O)NC(=O)N1
InChIInChI=1S/C14H16N2O4/c1-3-20-13-11(8(2)17)12(15-14(19)16-13)9-6-4-5-7-10(9)18/h4-7,12,18H,3H2,1-2H3,(H2,15,16,19)
InChIKeyDZNFNTFZRDVSCW-UHFFFAOYSA-N
XLogP1.58
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-6-ethoxy-4-(2-hydroxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 5-acetyl-6-ethoxy-4-(2-hydroxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one (CID 122379089) is 5-acetyl-6-ethoxy-4-(2-hydroxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 5-acetyl-6-ethoxy-4-(2-hydroxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 5-acetyl-6-ethoxy-4-(2-hydroxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one is CCOC1=C(C(C)=O)C(c2ccccc2O)NC(=O)N1.
What is the InChIKey of 5-acetyl-6-ethoxy-4-(2-hydroxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is DZNFNTFZRDVSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-3-20-13-11(8(2)17)12(15-14(19)16-13)9-6-4-5-7-10(9)18/h4-7,12,18H,3H2,1-2H3,(H2,15,16,19).
What are the key properties of 5-acetyl-6-ethoxy-4-(2-hydroxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one?
5-acetyl-6-ethoxy-4-(2-hydroxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 276.29 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-6-ethoxy-4-(2-hydroxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 122379089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).