2-chloro-4-(methylsulfonylmethyl)pyrimidine

C6H7ClN2O2S — CID 18981510

IUPAC2-chloro-4-(methylsulfonylmethyl)pyrimidine
SMILESCS(=O)(=O)Cc1ccnc(Cl)n1
InChIInChI=1S/C6H7ClN2O2S/c1-12(10,11)4-5-2-3-8-6(7)9-5/h2-3H,4H2,1H3
InChIKeyODSVUMXOTGKYFK-UHFFFAOYSA-N
MW206.65 g/mol
LogP0.67
Rot. Bonds2

About 2-chloro-4-(methylsulfonylmethyl)pyrimidine

2-chloro-4-(methylsulfonylmethyl)pyrimidine (PubChem CID 18981510) has the molecular formula C6H7ClN2O2S and a molecular weight of 206.65 g/mol. Its IUPAC name is 2-chloro-4-(methylsulfonylmethyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(methylsulfonylmethyl)pyrimidine
PubChem CID18981510
Molecular FormulaC6H7ClN2O2S
Molecular Weight206.65 g/mol
Exact Mass205.99
IUPAC Name2-chloro-4-(methylsulfonylmethyl)pyrimidine
SMILESCS(=O)(=O)Cc1ccnc(Cl)n1
InChIInChI=1S/C6H7ClN2O2S/c1-12(10,11)4-5-2-3-8-6(7)9-5/h2-3H,4H2,1H3
InChIKeyODSVUMXOTGKYFK-UHFFFAOYSA-N
XLogP0.67
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.65
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(methylsulfonylmethyl)pyrimidine?
The IUPAC name of 2-chloro-4-(methylsulfonylmethyl)pyrimidine (CID 18981510) is 2-chloro-4-(methylsulfonylmethyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(methylsulfonylmethyl)pyrimidine?
The canonical SMILES for 2-chloro-4-(methylsulfonylmethyl)pyrimidine is CS(=O)(=O)Cc1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-4-(methylsulfonylmethyl)pyrimidine?
The InChIKey is ODSVUMXOTGKYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O2S/c1-12(10,11)4-5-2-3-8-6(7)9-5/h2-3H,4H2,1H3.
What are the key properties of 2-chloro-4-(methylsulfonylmethyl)pyrimidine?
2-chloro-4-(methylsulfonylmethyl)pyrimidine has a molecular weight of 206.65 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(methylsulfonylmethyl)pyrimidine is sourced from PubChem (CID 18981510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).