2-chloro-5-methylsulfonylpyrimidin-4-amine

C5H6ClN3O2S — CID 87783706

IUPAC2-chloro-5-methylsulfonylpyrimidin-4-amine
SMILESCS(=O)(=O)c1cnc(Cl)nc1N
InChIInChI=1S/C5H6ClN3O2S/c1-12(10,11)3-2-8-5(6)9-4(3)7/h2H,1H3,(H2,7,8,9)
InChIKeyIUDXVLAKGLQVIL-UHFFFAOYSA-N
MW207.64 g/mol
LogP0.12
Rot. Bonds1

About 2-chloro-5-methylsulfonylpyrimidin-4-amine

2-chloro-5-methylsulfonylpyrimidin-4-amine (PubChem CID 87783706) has the molecular formula C5H6ClN3O2S and a molecular weight of 207.64 g/mol. Its IUPAC name is 2-chloro-5-methylsulfonylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-methylsulfonylpyrimidin-4-amine
PubChem CID87783706
Molecular FormulaC5H6ClN3O2S
Molecular Weight207.64 g/mol
Exact Mass206.99
IUPAC Name2-chloro-5-methylsulfonylpyrimidin-4-amine
SMILESCS(=O)(=O)c1cnc(Cl)nc1N
InChIInChI=1S/C5H6ClN3O2S/c1-12(10,11)3-2-8-5(6)9-4(3)7/h2H,1H3,(H2,7,8,9)
InChIKeyIUDXVLAKGLQVIL-UHFFFAOYSA-N
XLogP0.12
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.64
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylsulfonylpyrimidin-4-amine?
The IUPAC name of 2-chloro-5-methylsulfonylpyrimidin-4-amine (CID 87783706) is 2-chloro-5-methylsulfonylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-methylsulfonylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-methylsulfonylpyrimidin-4-amine is CS(=O)(=O)c1cnc(Cl)nc1N.
What is the InChIKey of 2-chloro-5-methylsulfonylpyrimidin-4-amine?
The InChIKey is IUDXVLAKGLQVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN3O2S/c1-12(10,11)3-2-8-5(6)9-4(3)7/h2H,1H3,(H2,7,8,9).
What are the key properties of 2-chloro-5-methylsulfonylpyrimidin-4-amine?
2-chloro-5-methylsulfonylpyrimidin-4-amine has a molecular weight of 207.64 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylsulfonylpyrimidin-4-amine is sourced from PubChem (CID 87783706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).