5-chloro-4-(2-methylsulfanylphenoxy)-1H-pyrimidin-6-one

C11H9ClN2O2S — CID 114676420

IUPAC5-chloro-4-(2-methylsulfanylphenoxy)-1H-pyrimidin-6-one
SMILESCSc1ccccc1Oc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C11H9ClN2O2S/c1-17-8-5-3-2-4-7(8)16-11-9(12)10(15)13-6-14-11/h2-6H,1H3,(H,13,14,15)
InChIKeyMMIUIFFKCDHOIX-UHFFFAOYSA-N
MW268.73 g/mol
LogP2.94
Rot. Bonds3

About 5-chloro-4-(2-methylsulfanylphenoxy)-1H-pyrimidin-6-one

5-chloro-4-(2-methylsulfanylphenoxy)-1H-pyrimidin-6-one (PubChem CID 114676420) has the molecular formula C11H9ClN2O2S and a molecular weight of 268.73 g/mol. Its IUPAC name is 5-chloro-4-(2-methylsulfanylphenoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(2-methylsulfanylphenoxy)-1H-pyrimidin-6-one
PubChem CID114676420
Molecular FormulaC11H9ClN2O2S
Molecular Weight268.73 g/mol
Exact Mass268.01
IUPAC Name5-chloro-4-(2-methylsulfanylphenoxy)-1H-pyrimidin-6-one
SMILESCSc1ccccc1Oc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C11H9ClN2O2S/c1-17-8-5-3-2-4-7(8)16-11-9(12)10(15)13-6-14-11/h2-6H,1H3,(H,13,14,15)
InChIKeyMMIUIFFKCDHOIX-UHFFFAOYSA-N
XLogP2.94
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-(2-methylsulfanylphenoxy)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-4-phenoxy-1H-pyrimidin-6-one
CID 114676015
5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]-1H-pyrimidin-6-one
CID 114676292
5-chloro-4-(4-chloronaphthalen-1-yl)oxy-1H-pyrimidin-6-one
CID 114676250
5-chloro-4-(4-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one
CID 114676539
5-chloro-4-quinolin-8-yloxy-1H-pyrimidin-6-one
CID 114676180
4-(4-bromo-2-fluorophenoxy)-5-chloro-1H-pyrimidin-6-one
CID 114676189
5-chloro-4-(2-chloro-4-methylphenoxy)-1H-pyrimidin-6-one
CID 114676397
5-chloro-4-(4-chloro-2-methylphenoxy)-1H-pyrimidin-6-one
CID 114676044
2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)oxy]-4-fluorobenzoic acid
CID 107016574
5-chloro-4-(5-fluoro-2-nitrophenoxy)-1H-pyrimidin-6-one
CID 114676307
4-chloro-5-methyl-6-(2-methylsulfanylphenoxy)pyrimidine
CID 63734721
5-chloro-4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one
CID 107170148

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-methylsulfanylphenoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(2-methylsulfanylphenoxy)-1H-pyrimidin-6-one (CID 114676420) is 5-chloro-4-(2-methylsulfanylphenoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(2-methylsulfanylphenoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(2-methylsulfanylphenoxy)-1H-pyrimidin-6-one is CSc1ccccc1Oc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-(2-methylsulfanylphenoxy)-1H-pyrimidin-6-one?
The InChIKey is MMIUIFFKCDHOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2S/c1-17-8-5-3-2-4-7(8)16-11-9(12)10(15)13-6-14-11/h2-6H,1H3,(H,13,14,15).
What are the key properties of 5-chloro-4-(2-methylsulfanylphenoxy)-1H-pyrimidin-6-one?
5-chloro-4-(2-methylsulfanylphenoxy)-1H-pyrimidin-6-one has a molecular weight of 268.73 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-methylsulfanylphenoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114676420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).