5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]-1H-pyrimidin-6-one

C13H11ClN2O2 — CID 114676292

IUPAC5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]-1H-pyrimidin-6-one
SMILESC/C=C/c1ccccc1Oc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C13H11ClN2O2/c1-2-5-9-6-3-4-7-10(9)18-13-11(14)12(17)15-8-16-13/h2-8H,1H3,(H,15,16,17)/b5-2+
InChIKeyZKDBPLYEBFWRIJ-GORDUTHDSA-N
MW262.70 g/mol
LogP3.25
Rot. Bonds3

About 5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]-1H-pyrimidin-6-one

5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]-1H-pyrimidin-6-one (PubChem CID 114676292) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]-1H-pyrimidin-6-one
PubChem CID114676292
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]-1H-pyrimidin-6-one
SMILESC/C=C/c1ccccc1Oc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C13H11ClN2O2/c1-2-5-9-6-3-4-7-10(9)18-13-11(14)12(17)15-8-16-13/h2-8H,1H3,(H,15,16,17)/b5-2+
InChIKeyZKDBPLYEBFWRIJ-GORDUTHDSA-N
XLogP3.25
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-(2-methylsulfanylphenoxy)-1H-pyrimidin-6-one
CID 114676420
5-chloro-4-phenoxy-1H-pyrimidin-6-one
CID 114676015
5-chloro-4-(4-chloronaphthalen-1-yl)oxy-1H-pyrimidin-6-one
CID 114676250
5-chloro-4-quinolin-8-yloxy-1H-pyrimidin-6-one
CID 114676180
5-chloro-4-(4-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one
CID 114676539
4-[(E)-but-2-enoxy]-5-chloro-1H-pyrimidin-6-one
CID 114676381
5-chloro-4-(4-chloro-2-methylphenoxy)-1H-pyrimidin-6-one
CID 114676044
2-chloro-4-(2-prop-1-enylphenoxy)pyrimidine
CID 76940175
5-chloro-4-(2-chloro-4-methylphenoxy)-1H-pyrimidin-6-one
CID 114676397
2-chloro-4-(2-prop-1-enylphenoxy)pyridine
CID 77005915
[5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-2-yl]hydrazine
CID 80912130
2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)oxy]-4-fluorobenzoic acid
CID 107016574

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]-1H-pyrimidin-6-one (CID 114676292) is 5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]-1H-pyrimidin-6-one is C/C=C/c1ccccc1Oc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]-1H-pyrimidin-6-one?
The InChIKey is ZKDBPLYEBFWRIJ-GORDUTHDSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c1-2-5-9-6-3-4-7-10(9)18-13-11(14)12(17)15-8-16-13/h2-8H,1H3,(H,15,16,17)/b5-2+.
What are the key properties of 5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]-1H-pyrimidin-6-one?
5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]-1H-pyrimidin-6-one has a molecular weight of 262.70 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 114676292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).