4-cyclobutyl-2-methylsulfonylpyrimidine

C9H12N2O2S — CID 82394382

IUPAC4-cyclobutyl-2-methylsulfonylpyrimidine
SMILESCS(=O)(=O)c1nccc(C2CCC2)n1
InChIInChI=1S/C9H12N2O2S/c1-14(12,13)9-10-6-5-8(11-9)7-3-2-4-7/h5-7H,2-4H2,1H3
InChIKeyOXOHRIHMEIGWPF-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.15
Rot. Bonds2

About 4-cyclobutyl-2-methylsulfonylpyrimidine

4-cyclobutyl-2-methylsulfonylpyrimidine (PubChem CID 82394382) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 4-cyclobutyl-2-methylsulfonylpyrimidine.

Molecular Properties

Compound Name4-cyclobutyl-2-methylsulfonylpyrimidine
PubChem CID82394382
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name4-cyclobutyl-2-methylsulfonylpyrimidine
SMILESCS(=O)(=O)c1nccc(C2CCC2)n1
InChIInChI=1S/C9H12N2O2S/c1-14(12,13)9-10-6-5-8(11-9)7-3-2-4-7/h5-7H,2-4H2,1H3
InChIKeyOXOHRIHMEIGWPF-UHFFFAOYSA-N
XLogP1.15
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyclobutylpyrimidin-2-yl)propan-2-amine
CID 116897705
4-cyclopentyl-2-methylsulfanylpyrimidine
CID 70073291
4-(4-cyclobutylpyrimidin-2-yl)butan-2-one
CID 116901689
4-(1-methylpyrazol-4-yl)-2-methylsulfonylpyrimidine
CID 67397716
2-(4-cyclobutylpyrimidin-2-yl)-3-methylbutan-1-amine
CID 116903236
(4-cyclopentylpyrimidin-2-yl)methanol
CID 116899510
1-(2-methylsulfonylpyrimidin-4-yl)ethanamine
CID 84670120
3-(4-cyclobutylpyrimidin-2-yl)-N-methylpropan-1-amine
CID 116898181
2-(4-cyclohexylpyrimidin-2-yl)-2-methylpropanoic acid
CID 116899904
4-(2-chloro-3-pyridinyl)-2-methylsulfonylpyrimidine
CID 86602591
4-chloro-2-methylsulfonylpyrimidine;4-chloropyrimidin-2-amine
CID 159327142
2-tert-butyl-4-cyclopropylpyrimidine
CID 58088107

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-2-methylsulfonylpyrimidine?
The IUPAC name of 4-cyclobutyl-2-methylsulfonylpyrimidine (CID 82394382) is 4-cyclobutyl-2-methylsulfonylpyrimidine.
What is the SMILES notation for 4-cyclobutyl-2-methylsulfonylpyrimidine?
The canonical SMILES for 4-cyclobutyl-2-methylsulfonylpyrimidine is CS(=O)(=O)c1nccc(C2CCC2)n1.
What is the InChIKey of 4-cyclobutyl-2-methylsulfonylpyrimidine?
The InChIKey is OXOHRIHMEIGWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-14(12,13)9-10-6-5-8(11-9)7-3-2-4-7/h5-7H,2-4H2,1H3.
What are the key properties of 4-cyclobutyl-2-methylsulfonylpyrimidine?
4-cyclobutyl-2-methylsulfonylpyrimidine has a molecular weight of 212.27 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-2-methylsulfonylpyrimidine is sourced from PubChem (CID 82394382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).