4-methyl-2-methylsulfanyl-6-phenoxypyrimidine

C12H12N2OS — CID 977622

IUPAC4-methyl-2-methylsulfanyl-6-phenoxypyrimidine
SMILESCSc1nc(C)cc(Oc2ccccc2)n1
InChIInChI=1S/C12H12N2OS/c1-9-8-11(14-12(13-9)16-2)15-10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyJDPFUFWTNNYKNX-UHFFFAOYSA-N
MW232.31 g/mol
LogP3.30
Rot. Bonds3

About 4-methyl-2-methylsulfanyl-6-phenoxypyrimidine

4-methyl-2-methylsulfanyl-6-phenoxypyrimidine (PubChem CID 977622) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 4-methyl-2-methylsulfanyl-6-phenoxypyrimidine.

Molecular Properties

Compound Name4-methyl-2-methylsulfanyl-6-phenoxypyrimidine
PubChem CID977622
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name4-methyl-2-methylsulfanyl-6-phenoxypyrimidine
SMILESCSc1nc(C)cc(Oc2ccccc2)n1
InChIInChI=1S/C12H12N2OS/c1-9-8-11(14-12(13-9)16-2)15-10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyJDPFUFWTNNYKNX-UHFFFAOYSA-N
XLogP3.30
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-((4,6-Dimethylpyrimidin-2-yl)oxy)aniline
CID 767037
2-(Methylsulfanyl)-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 1475000
4-Methoxy-6-phenoxypyrimidin-2-amine
CID 684938
(4,6-Dimethylpyrimidin-2-yl)-(2-phenoxyethyl)cyanamide
CID 750969
4-Methyl-6-phenoxy-2-phenylpyrimidine
CID 796212
4-(4-Ethylphenoxy)-6-methylpyrimidin-2-amine
CID 830665
4-(4-Methyl-6-phenoxypyrimidin-2-yl)morpholine
CID 921200
4-(4-Methylphenoxy)-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine
CID 1475001
2-(4-Methyl-6-phenoxypyrimidin-2-yl)oxyacetonitrile
CID 1886522
2-[(4-Methyl-6-phenoxy-2-pyrimidinyl)thio]acetamide
CID 2201505
2-(2-Phenoxyethylsulfanyl)pyrimidine-4,6-diamine
CID 2291042
4-Methyl-6-(2-phenoxy-ethylsulfanyl)-pyrimidin-2-ylamine
CID 3156766

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylsulfanyl-6-phenoxypyrimidine?
The IUPAC name of 4-methyl-2-methylsulfanyl-6-phenoxypyrimidine (CID 977622) is 4-methyl-2-methylsulfanyl-6-phenoxypyrimidine.
What is the SMILES notation for 4-methyl-2-methylsulfanyl-6-phenoxypyrimidine?
The canonical SMILES for 4-methyl-2-methylsulfanyl-6-phenoxypyrimidine is CSc1nc(C)cc(Oc2ccccc2)n1.
What is the InChIKey of 4-methyl-2-methylsulfanyl-6-phenoxypyrimidine?
The InChIKey is JDPFUFWTNNYKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-9-8-11(14-12(13-9)16-2)15-10-6-4-3-5-7-10/h3-8H,1-2H3.
What are the key properties of 4-methyl-2-methylsulfanyl-6-phenoxypyrimidine?
4-methyl-2-methylsulfanyl-6-phenoxypyrimidine has a molecular weight of 232.31 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylsulfanyl-6-phenoxypyrimidine is sourced from PubChem (CID 977622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).