2-methyl-6-sulfonyl-1H-pyrimidine

C5H6N2O2S — CID 88921755

IUPAC2-methyl-6-sulfonyl-1H-pyrimidine
SMILESCc1nccc(=S(=O)=O)[nH]1
InChIInChI=1S/C5H6N2O2S/c1-4-6-3-2-5(7-4)10(8)9/h2-3H,1H3,(H,6,7)
InChIKeyGLUWYKQRHMFRKL-UHFFFAOYSA-N
MW158.18 g/mol
LogP0.13
Rot. Bonds

About 2-methyl-6-sulfonyl-1H-pyrimidine

2-methyl-6-sulfonyl-1H-pyrimidine (PubChem CID 88921755) has the molecular formula C5H6N2O2S and a molecular weight of 158.18 g/mol. Its IUPAC name is 2-methyl-6-sulfonyl-1H-pyrimidine.

Molecular Properties

Compound Name2-methyl-6-sulfonyl-1H-pyrimidine
PubChem CID88921755
Molecular FormulaC5H6N2O2S
Molecular Weight158.18 g/mol
Exact Mass158.01
IUPAC Name2-methyl-6-sulfonyl-1H-pyrimidine
SMILESCc1nccc(=S(=O)=O)[nH]1
InChIInChI=1S/C5H6N2O2S/c1-4-6-3-2-5(7-4)10(8)9/h2-3H,1H3,(H,6,7)
InChIKeyGLUWYKQRHMFRKL-UHFFFAOYSA-N
XLogP0.13
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4(3H)-Pyrimidinethione, 2-methyl-
CID 5371496
2-(6-sulfonyl-1H-pyrimidin-2-yl)guanidine
CID 54498940
6-sulfonyl-1H-pyrimidin-2-amine
CID 88431488
2-prop-2-enyl-6-sulfonyl-1H-pyrimidine
CID 88615562
6-sulfonyl-1H-pyrimidine
CID 154036279
2-(methylsulfonylmethyl)-1H-pyrimidine-6-thione
CID 106476393
2-(1-methylsulfonylethyl)-1H-pyrimidine-6-thione
CID 106476412

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-sulfonyl-1H-pyrimidine?
The IUPAC name of 2-methyl-6-sulfonyl-1H-pyrimidine (CID 88921755) is 2-methyl-6-sulfonyl-1H-pyrimidine.
What is the SMILES notation for 2-methyl-6-sulfonyl-1H-pyrimidine?
The canonical SMILES for 2-methyl-6-sulfonyl-1H-pyrimidine is Cc1nccc(=S(=O)=O)[nH]1.
What is the InChIKey of 2-methyl-6-sulfonyl-1H-pyrimidine?
The InChIKey is GLUWYKQRHMFRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S/c1-4-6-3-2-5(7-4)10(8)9/h2-3H,1H3,(H,6,7).
What are the key properties of 2-methyl-6-sulfonyl-1H-pyrimidine?
2-methyl-6-sulfonyl-1H-pyrimidine has a molecular weight of 158.18 g/mol, XLogP of 0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-sulfonyl-1H-pyrimidine is sourced from PubChem (CID 88921755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).