5-methyl-2-[(2,4,6-trimethylphenyl)methylsulfonyl]pyrimidine

C15H18N2O2S — CID 154739268

IUPAC5-methyl-2-[(2,4,6-trimethylphenyl)methylsulfonyl]pyrimidine
SMILESCc1cnc(S(=O)(=O)Cc2c(C)cc(C)cc2C)nc1
InChIInChI=1S/C15H18N2O2S/c1-10-5-12(3)14(13(4)6-10)9-20(18,19)15-16-7-11(2)8-17-15/h5-8H,9H2,1-4H3
InChIKeySZKQAWSTECRQLK-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.68
Rot. Bonds3

About 5-methyl-2-[(2,4,6-trimethylphenyl)methylsulfonyl]pyrimidine

5-methyl-2-[(2,4,6-trimethylphenyl)methylsulfonyl]pyrimidine (PubChem CID 154739268) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 5-methyl-2-[(2,4,6-trimethylphenyl)methylsulfonyl]pyrimidine.

Molecular Properties

Compound Name5-methyl-2-[(2,4,6-trimethylphenyl)methylsulfonyl]pyrimidine
PubChem CID154739268
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name5-methyl-2-[(2,4,6-trimethylphenyl)methylsulfonyl]pyrimidine
SMILESCc1cnc(S(=O)(=O)Cc2c(C)cc(C)cc2C)nc1
InChIInChI=1S/C15H18N2O2S/c1-10-5-12(3)14(13(4)6-10)9-20(18,19)15-16-7-11(2)8-17-15/h5-8H,9H2,1-4H3
InChIKeySZKQAWSTECRQLK-UHFFFAOYSA-N
XLogP2.68
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-3-[(2,4,6-trimethylphenyl)methylsulfonyl]aniline
CID 81192384
ethane;5-methyl-2-methylsulfonylpyrimidine
CID 176693860
5-methyl-2-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methylsulfonyl]pyrimidine
CID 75471589
5-methyl-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methylsulfonyl]pyrimidine
CID 75515578
2-chloro-4-[(2,4,6-trimethylphenyl)methylsulfonyl]aniline
CID 81202555
4-fluoro-2-[(2,4,6-trimethylphenyl)methylsulfonyl]aniline
CID 81192768
3-[(2,4,6-trimethylphenyl)methylsulfonyl]propanoic acid
CID 62543115
5-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfonyl]-1H-1,2,4-triazole
CID 154739539
4-[(5-methylpyrimidin-2-yl)sulfonylmethyl]-2-pyridin-2-yl-1,3-thiazole
CID 75471583
N-(2-phenylphenyl)-1-(2,4,6-trimethylphenyl)methanesulfonamide
CID 142786247
2-ethylsulfonylpyrimidin-5-ol
CID 75480817
2-[1-[(2,4,6-trimethylphenyl)methylsulfonylmethyl]cyclopropyl]acetic acid
CID 65442129

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(2,4,6-trimethylphenyl)methylsulfonyl]pyrimidine?
The IUPAC name of 5-methyl-2-[(2,4,6-trimethylphenyl)methylsulfonyl]pyrimidine (CID 154739268) is 5-methyl-2-[(2,4,6-trimethylphenyl)methylsulfonyl]pyrimidine.
What is the SMILES notation for 5-methyl-2-[(2,4,6-trimethylphenyl)methylsulfonyl]pyrimidine?
The canonical SMILES for 5-methyl-2-[(2,4,6-trimethylphenyl)methylsulfonyl]pyrimidine is Cc1cnc(S(=O)(=O)Cc2c(C)cc(C)cc2C)nc1.
What is the InChIKey of 5-methyl-2-[(2,4,6-trimethylphenyl)methylsulfonyl]pyrimidine?
The InChIKey is SZKQAWSTECRQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10-5-12(3)14(13(4)6-10)9-20(18,19)15-16-7-11(2)8-17-15/h5-8H,9H2,1-4H3.
What are the key properties of 5-methyl-2-[(2,4,6-trimethylphenyl)methylsulfonyl]pyrimidine?
5-methyl-2-[(2,4,6-trimethylphenyl)methylsulfonyl]pyrimidine has a molecular weight of 290.39 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(2,4,6-trimethylphenyl)methylsulfonyl]pyrimidine is sourced from PubChem (CID 154739268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).