4-ethoxy-1-(6-hydroxyhexa-3,4-dienyl)pyrimidin-2-one

C12H16N2O3 — CID 151905587

IUPAC4-ethoxy-1-(6-hydroxyhexa-3,4-dienyl)pyrimidin-2-one
SMILESCCOc1ccn(CCC=C=CCO)c(=O)n1
InChIInChI=1S/C12H16N2O3/c1-2-17-11-7-9-14(12(16)13-11)8-5-3-4-6-10-15/h3,6-7,9,15H,2,5,8,10H2,1H3
InChIKeySTQYUTWEXFHRNG-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.74
Rot. Bonds6

About 4-ethoxy-1-(6-hydroxyhexa-3,4-dienyl)pyrimidin-2-one

4-ethoxy-1-(6-hydroxyhexa-3,4-dienyl)pyrimidin-2-one (PubChem CID 151905587) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-ethoxy-1-(6-hydroxyhexa-3,4-dienyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-ethoxy-1-(6-hydroxyhexa-3,4-dienyl)pyrimidin-2-one
PubChem CID151905587
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-ethoxy-1-(6-hydroxyhexa-3,4-dienyl)pyrimidin-2-one
SMILESCCOc1ccn(CCC=C=CCO)c(=O)n1
InChIInChI=1S/C12H16N2O3/c1-2-17-11-7-9-14(12(16)13-11)8-5-3-4-6-10-15/h3,6-7,9,15H,2,5,8,10H2,1H3
InChIKeySTQYUTWEXFHRNG-UHFFFAOYSA-N
XLogP0.74
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(6-hydroxyhexa-3,4-dienyl)pyrimidin-2-one?
The IUPAC name of 4-ethoxy-1-(6-hydroxyhexa-3,4-dienyl)pyrimidin-2-one (CID 151905587) is 4-ethoxy-1-(6-hydroxyhexa-3,4-dienyl)pyrimidin-2-one.
What is the SMILES notation for 4-ethoxy-1-(6-hydroxyhexa-3,4-dienyl)pyrimidin-2-one?
The canonical SMILES for 4-ethoxy-1-(6-hydroxyhexa-3,4-dienyl)pyrimidin-2-one is CCOc1ccn(CCC=C=CCO)c(=O)n1.
What is the InChIKey of 4-ethoxy-1-(6-hydroxyhexa-3,4-dienyl)pyrimidin-2-one?
The InChIKey is STQYUTWEXFHRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-2-17-11-7-9-14(12(16)13-11)8-5-3-4-6-10-15/h3,6-7,9,15H,2,5,8,10H2,1H3.
What are the key properties of 4-ethoxy-1-(6-hydroxyhexa-3,4-dienyl)pyrimidin-2-one?
4-ethoxy-1-(6-hydroxyhexa-3,4-dienyl)pyrimidin-2-one has a molecular weight of 236.27 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(6-hydroxyhexa-3,4-dienyl)pyrimidin-2-one is sourced from PubChem (CID 151905587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).