4-chloro-2-methylsulfonylpyrimidine;4-chloropyrimidin-2-amine

C9H9Cl2N5O2S — CID 159327142

IUPAC4-chloro-2-methylsulfonylpyrimidine;4-chloropyrimidin-2-amine
SMILESCS(=O)(=O)c1nccc(Cl)n1.Nc1nccc(Cl)n1
InChIInChI=1S/C5H5ClN2O2S.C4H4ClN3/c1-11(9,10)5-7-3-2-4(6)8-5;5-3-1-2-7-4(6)8-3/h2-3H,1H3;1-2H,(H2,6,7,8)
InChIKeyLEMWGLKKBQINOX-UHFFFAOYSA-N
MW322.18 g/mol
LogP1.25
Rot. Bonds1

About 4-chloro-2-methylsulfonylpyrimidine;4-chloropyrimidin-2-amine

4-chloro-2-methylsulfonylpyrimidine;4-chloropyrimidin-2-amine (PubChem CID 159327142) has the molecular formula C9H9Cl2N5O2S and a molecular weight of 322.18 g/mol. Its IUPAC name is 4-chloro-2-methylsulfonylpyrimidine;4-chloropyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-2-methylsulfonylpyrimidine;4-chloropyrimidin-2-amine
PubChem CID159327142
Molecular FormulaC9H9Cl2N5O2S
Molecular Weight322.18 g/mol
Exact Mass320.99
IUPAC Name4-chloro-2-methylsulfonylpyrimidine;4-chloropyrimidin-2-amine
SMILESCS(=O)(=O)c1nccc(Cl)n1.Nc1nccc(Cl)n1
InChIInChI=1S/C5H5ClN2O2S.C4H4ClN3/c1-11(9,10)5-7-3-2-4(6)8-5;5-3-1-2-7-4(6)8-3/h2-3H,1H3;1-2H,(H2,6,7,8)
InChIKeyLEMWGLKKBQINOX-UHFFFAOYSA-N
XLogP1.25
TPSA111.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methylsulfonylpyrimidine;4-chloropyrimidin-2-amine?
The IUPAC name of 4-chloro-2-methylsulfonylpyrimidine;4-chloropyrimidin-2-amine (CID 159327142) is 4-chloro-2-methylsulfonylpyrimidine;4-chloropyrimidin-2-amine.
What is the SMILES notation for 4-chloro-2-methylsulfonylpyrimidine;4-chloropyrimidin-2-amine?
The canonical SMILES for 4-chloro-2-methylsulfonylpyrimidine;4-chloropyrimidin-2-amine is CS(=O)(=O)c1nccc(Cl)n1.Nc1nccc(Cl)n1.
What is the InChIKey of 4-chloro-2-methylsulfonylpyrimidine;4-chloropyrimidin-2-amine?
The InChIKey is LEMWGLKKBQINOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2O2S.C4H4ClN3/c1-11(9,10)5-7-3-2-4(6)8-5;5-3-1-2-7-4(6)8-3/h2-3H,1H3;1-2H,(H2,6,7,8).
What are the key properties of 4-chloro-2-methylsulfonylpyrimidine;4-chloropyrimidin-2-amine?
4-chloro-2-methylsulfonylpyrimidine;4-chloropyrimidin-2-amine has a molecular weight of 322.18 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methylsulfonylpyrimidine;4-chloropyrimidin-2-amine is sourced from PubChem (CID 159327142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).