2-chloro-5-cyclopropyl-4-methylsulfonylpyrimidine

C8H9ClN2O2S — CID 155269851

IUPAC2-chloro-5-cyclopropyl-4-methylsulfonylpyrimidine
SMILESCS(=O)(=O)c1nc(Cl)ncc1C1CC1
InChIInChI=1S/C8H9ClN2O2S/c1-14(12,13)7-6(5-2-3-5)4-10-8(9)11-7/h4-5H,2-3H2,1H3
InChIKeyGEQNBRIJZVAMSQ-UHFFFAOYSA-N
MW232.69 g/mol
LogP1.41
Rot. Bonds2

About 2-chloro-5-cyclopropyl-4-methylsulfonylpyrimidine

2-chloro-5-cyclopropyl-4-methylsulfonylpyrimidine (PubChem CID 155269851) has the molecular formula C8H9ClN2O2S and a molecular weight of 232.69 g/mol. Its IUPAC name is 2-chloro-5-cyclopropyl-4-methylsulfonylpyrimidine.

Molecular Properties

Compound Name2-chloro-5-cyclopropyl-4-methylsulfonylpyrimidine
PubChem CID155269851
Molecular FormulaC8H9ClN2O2S
Molecular Weight232.69 g/mol
Exact Mass232.01
IUPAC Name2-chloro-5-cyclopropyl-4-methylsulfonylpyrimidine
SMILESCS(=O)(=O)c1nc(Cl)ncc1C1CC1
InChIInChI=1S/C8H9ClN2O2S/c1-14(12,13)7-6(5-2-3-5)4-10-8(9)11-7/h4-5H,2-3H2,1H3
InChIKeyGEQNBRIJZVAMSQ-UHFFFAOYSA-N
XLogP1.41
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.69
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyclopropyl-4-methylsulfonylpyrimidine?
The IUPAC name of 2-chloro-5-cyclopropyl-4-methylsulfonylpyrimidine (CID 155269851) is 2-chloro-5-cyclopropyl-4-methylsulfonylpyrimidine.
What is the SMILES notation for 2-chloro-5-cyclopropyl-4-methylsulfonylpyrimidine?
The canonical SMILES for 2-chloro-5-cyclopropyl-4-methylsulfonylpyrimidine is CS(=O)(=O)c1nc(Cl)ncc1C1CC1.
What is the InChIKey of 2-chloro-5-cyclopropyl-4-methylsulfonylpyrimidine?
The InChIKey is GEQNBRIJZVAMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2S/c1-14(12,13)7-6(5-2-3-5)4-10-8(9)11-7/h4-5H,2-3H2,1H3.
What are the key properties of 2-chloro-5-cyclopropyl-4-methylsulfonylpyrimidine?
2-chloro-5-cyclopropyl-4-methylsulfonylpyrimidine has a molecular weight of 232.69 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-cyclopropyl-4-methylsulfonylpyrimidine is sourced from PubChem (CID 155269851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).