2-[2-(2-methoxyphenoxy)ethylsulfanyl]-4,6-dimethylpyrimidine

C15H18N2O2S — CID 2052799

IUPAC2-[2-(2-methoxyphenoxy)ethylsulfanyl]-4,6-dimethylpyrimidine
SMILESCOc1ccccc1OCCSc1nc(C)cc(C)n1
InChIInChI=1S/C15H18N2O2S/c1-11-10-12(2)17-15(16-11)20-9-8-19-14-7-5-4-6-13(14)18-3/h4-7,10H,8-9H2,1-3H3
InChIKeyPMBIZGGFMNPXFY-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.27
Rot. Bonds6

About 2-[2-(2-methoxyphenoxy)ethylsulfanyl]-4,6-dimethylpyrimidine

2-[2-(2-methoxyphenoxy)ethylsulfanyl]-4,6-dimethylpyrimidine (PubChem CID 2052799) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenoxy)ethylsulfanyl]-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-[2-(2-methoxyphenoxy)ethylsulfanyl]-4,6-dimethylpyrimidine
PubChem CID2052799
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-[2-(2-methoxyphenoxy)ethylsulfanyl]-4,6-dimethylpyrimidine
SMILESCOc1ccccc1OCCSc1nc(C)cc(C)n1
InChIInChI=1S/C15H18N2O2S/c1-11-10-12(2)17-15(16-11)20-9-8-19-14-7-5-4-6-13(14)18-3/h4-7,10H,8-9H2,1-3H3
InChIKeyPMBIZGGFMNPXFY-UHFFFAOYSA-N
XLogP3.27
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5,7-Dimethyl-2-[(2-phenoxyethyl)sulfanyl][1,2,4]triazolo[1,5-a]pyrimidine
CID 3723312
2-((4,6-Dimethylpyrimidin-2-yl)thio)-N-(4-ethoxyphenyl)acetamide
CID 769987
1-(4-Butoxyphenyl)-3-[2-(butylsulfanyl)-6-methylpyrimidin-4-yl]thiourea
CID 1870872
2-(4-Methyl-6-phenoxypyrimidin-2-yl)oxyacetonitrile
CID 1886522
4-Methyl-6-{[2-(3-methylphenoxy)ethyl]thio}-2-pyrimidinamine
CID 2175572
4-Methyl-6-{[2-(4-methylphenoxy)ethyl]thio}-2-pyrimidinamine
CID 2178563
2-[(4-Methyl-6-phenoxy-2-pyrimidinyl)thio]acetamide
CID 2201505
2-(2-Phenoxyethylsulfanyl)pyrimidine-4,6-diamine
CID 2291042
2-{[2-(4-Methoxyphenoxy)ethyl]thio}-4,6-pyrimidinediamine
CID 2293488
2-{[2-(2-Phenoxyethoxy)ethyl]thio}pyrimidine
CID 2935739
2-(2,3-Dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2997908
4-Methyl-6-(2-phenoxy-ethylsulfanyl)-pyrimidin-2-ylamine
CID 3156766

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenoxy)ethylsulfanyl]-4,6-dimethylpyrimidine?
The IUPAC name of 2-[2-(2-methoxyphenoxy)ethylsulfanyl]-4,6-dimethylpyrimidine (CID 2052799) is 2-[2-(2-methoxyphenoxy)ethylsulfanyl]-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-[2-(2-methoxyphenoxy)ethylsulfanyl]-4,6-dimethylpyrimidine?
The canonical SMILES for 2-[2-(2-methoxyphenoxy)ethylsulfanyl]-4,6-dimethylpyrimidine is COc1ccccc1OCCSc1nc(C)cc(C)n1.
What is the InChIKey of 2-[2-(2-methoxyphenoxy)ethylsulfanyl]-4,6-dimethylpyrimidine?
The InChIKey is PMBIZGGFMNPXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11-10-12(2)17-15(16-11)20-9-8-19-14-7-5-4-6-13(14)18-3/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 2-[2-(2-methoxyphenoxy)ethylsulfanyl]-4,6-dimethylpyrimidine?
2-[2-(2-methoxyphenoxy)ethylsulfanyl]-4,6-dimethylpyrimidine has a molecular weight of 290.39 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenoxy)ethylsulfanyl]-4,6-dimethylpyrimidine is sourced from PubChem (CID 2052799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).