4-methyl-2-methylsulfonylpyrimidine

C6H8N2O2S — CID 2772379

IUPAC4-methyl-2-methylsulfonylpyrimidine
SMILESCc1ccnc(S(C)(=O)=O)n1
InChIInChI=1S/C6H8N2O2S/c1-5-3-4-7-6(8-5)11(2,9)10/h3-4H,1-2H3
InChIKeyLWSFXJZBVVGVIO-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.19
Rot. Bonds1

About 4-methyl-2-methylsulfonylpyrimidine

4-methyl-2-methylsulfonylpyrimidine (PubChem CID 2772379) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is 4-methyl-2-methylsulfonylpyrimidine.

Molecular Properties

Compound Name4-methyl-2-methylsulfonylpyrimidine
PubChem CID2772379
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name4-methyl-2-methylsulfonylpyrimidine
SMILESCc1ccnc(S(C)(=O)=O)n1
InChIInChI=1S/C6H8N2O2S/c1-5-3-4-7-6(8-5)11(2,9)10/h3-4H,1-2H3
InChIKeyLWSFXJZBVVGVIO-UHFFFAOYSA-N
XLogP0.19
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methylpyrimidine
CID 18922
((4-Methylpyrimidin-2-yl)thio)acetic acid
CID 98782
4-Methyl-2-(methylsulfanyl)pyrimidine
CID 821261
2-((4-Methylpyrimidin-2-yl)thio)acetamide
CID 863173
2-(Methylsulphonyl)pyrimidine
CID 13289225
2-(Methylthio)-4-(trifluoromethyl)pyrimidine
CID 2780414
Pyrimidine, 4-methyl-2-((3,4,4-trifluoro-3-butenyl)thio)-
CID 78585
Methyl 2-((4-methylpyrimidin-2-yl)thio)acetate
CID 963557
N,N,4-trimethylpyrimidin-2-amine
CID 21783318
Pyrimidine-4-methanethiol, hydrochloride
CID 3088801
4-Cyclopropyl-2-methanesulfonylpyrimidine
CID 83880313
4-Methylpyrimidine-2-sulfonamide
CID 22114194

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylsulfonylpyrimidine?
The IUPAC name of 4-methyl-2-methylsulfonylpyrimidine (CID 2772379) is 4-methyl-2-methylsulfonylpyrimidine.
What is the SMILES notation for 4-methyl-2-methylsulfonylpyrimidine?
The canonical SMILES for 4-methyl-2-methylsulfonylpyrimidine is Cc1ccnc(S(C)(=O)=O)n1.
What is the InChIKey of 4-methyl-2-methylsulfonylpyrimidine?
The InChIKey is LWSFXJZBVVGVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c1-5-3-4-7-6(8-5)11(2,9)10/h3-4H,1-2H3.
What are the key properties of 4-methyl-2-methylsulfonylpyrimidine?
4-methyl-2-methylsulfonylpyrimidine has a molecular weight of 172.21 g/mol, XLogP of 0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylsulfonylpyrimidine is sourced from PubChem (CID 2772379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).