4,6-dimethyl-2-phenylsulfanylpyrimidine

C12H12N2S — CID 723503

IUPAC4,6-dimethyl-2-phenylsulfanylpyrimidine
SMILESCc1cc(C)nc(Sc2ccccc2)n1
InChIInChI=1S/C12H12N2S/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeyIARGOCVSIPNAQQ-UHFFFAOYSA-N
MW216.31 g/mol
LogP3.24
Rot. Bonds2

About 4,6-dimethyl-2-phenylsulfanylpyrimidine

4,6-dimethyl-2-phenylsulfanylpyrimidine (PubChem CID 723503) has the molecular formula C12H12N2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 4,6-dimethyl-2-phenylsulfanylpyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-phenylsulfanylpyrimidine
PubChem CID723503
Molecular FormulaC12H12N2S
Molecular Weight216.31 g/mol
Exact Mass216.07
IUPAC Name4,6-dimethyl-2-phenylsulfanylpyrimidine
SMILESCc1cc(C)nc(Sc2ccccc2)n1
InChIInChI=1S/C12H12N2S/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeyIARGOCVSIPNAQQ-UHFFFAOYSA-N
XLogP3.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4,6-Dimethylpyrimidin-2-Yl)thio]-2,3,5,6-Tetrafluorobenzenesulfonamide
CID 71299336
4-Methyl-6-(Toluene-4-Sulfonyl)-Pyrimidin-2-Ylamine
CID 2766290
2-[(4-Fluorobenzyl)sulfanyl]-4,6-dimethylpyrimidine
CID 823852
N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]benzenesulfonamide
CID 4334677
Desaminosulfamethazine
CID 188299
4-((4,6-Dimethylpyrimidin-2-yl)thio)aniline
CID 2737477
acs.jmedchem.1c00409_ST.259
CID 145961183
acs.jmedchem.1c00409_ST.246
CID 145961704
acs.jmedchem.1c00409_ST.286
CID 145962625
acs.jmedchem.1c00409_ST.263
CID 145963515
N-cyano-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 647569
2-[(1,1-Dioxido-1-benzothien-3-yl)thio]-4,6-dimethylpyrimidine
CID 705143

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-phenylsulfanylpyrimidine?
The IUPAC name of 4,6-dimethyl-2-phenylsulfanylpyrimidine (CID 723503) is 4,6-dimethyl-2-phenylsulfanylpyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-phenylsulfanylpyrimidine?
The canonical SMILES for 4,6-dimethyl-2-phenylsulfanylpyrimidine is Cc1cc(C)nc(Sc2ccccc2)n1.
What is the InChIKey of 4,6-dimethyl-2-phenylsulfanylpyrimidine?
The InChIKey is IARGOCVSIPNAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3.
What are the key properties of 4,6-dimethyl-2-phenylsulfanylpyrimidine?
4,6-dimethyl-2-phenylsulfanylpyrimidine has a molecular weight of 216.31 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-phenylsulfanylpyrimidine is sourced from PubChem (CID 723503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).