4-ethoxy-1-(1-hydroxyhexa-4,5-dien-2-yl)pyrimidin-2-one

C12H16N2O3 — CID 174367504

IUPAC4-ethoxy-1-(1-hydroxyhexa-4,5-dien-2-yl)pyrimidin-2-one
SMILESC=C=CCC(CO)n1ccc(OCC)nc1=O
InChIInChI=1S/C12H16N2O3/c1-3-5-6-10(9-15)14-8-7-11(17-4-2)13-12(14)16/h5,7-8,10,15H,1,4,6,9H2,2H3
InChIKeyYYWHREJQDPYYMN-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.91
Rot. Bonds6

About 4-ethoxy-1-(1-hydroxyhexa-4,5-dien-2-yl)pyrimidin-2-one

4-ethoxy-1-(1-hydroxyhexa-4,5-dien-2-yl)pyrimidin-2-one (PubChem CID 174367504) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-ethoxy-1-(1-hydroxyhexa-4,5-dien-2-yl)pyrimidin-2-one.

Molecular Properties

Compound Name4-ethoxy-1-(1-hydroxyhexa-4,5-dien-2-yl)pyrimidin-2-one
PubChem CID174367504
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-ethoxy-1-(1-hydroxyhexa-4,5-dien-2-yl)pyrimidin-2-one
SMILESC=C=CCC(CO)n1ccc(OCC)nc1=O
InChIInChI=1S/C12H16N2O3/c1-3-5-6-10(9-15)14-8-7-11(17-4-2)13-12(14)16/h5,7-8,10,15H,1,4,6,9H2,2H3
InChIKeyYYWHREJQDPYYMN-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(1-hydroxyhexa-4,5-dien-2-yl)pyrimidin-2-one?
The IUPAC name of 4-ethoxy-1-(1-hydroxyhexa-4,5-dien-2-yl)pyrimidin-2-one (CID 174367504) is 4-ethoxy-1-(1-hydroxyhexa-4,5-dien-2-yl)pyrimidin-2-one.
What is the SMILES notation for 4-ethoxy-1-(1-hydroxyhexa-4,5-dien-2-yl)pyrimidin-2-one?
The canonical SMILES for 4-ethoxy-1-(1-hydroxyhexa-4,5-dien-2-yl)pyrimidin-2-one is C=C=CCC(CO)n1ccc(OCC)nc1=O.
What is the InChIKey of 4-ethoxy-1-(1-hydroxyhexa-4,5-dien-2-yl)pyrimidin-2-one?
The InChIKey is YYWHREJQDPYYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-3-5-6-10(9-15)14-8-7-11(17-4-2)13-12(14)16/h5,7-8,10,15H,1,4,6,9H2,2H3.
What are the key properties of 4-ethoxy-1-(1-hydroxyhexa-4,5-dien-2-yl)pyrimidin-2-one?
4-ethoxy-1-(1-hydroxyhexa-4,5-dien-2-yl)pyrimidin-2-one has a molecular weight of 236.27 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(1-hydroxyhexa-4,5-dien-2-yl)pyrimidin-2-one is sourced from PubChem (CID 174367504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).