4-chloro-6-methyl-2-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride

C9H13Cl2N3O2S — CID 71639162

IUPAC4-chloro-6-methyl-2-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride
SMILESCc1cc(Cl)nc(S(=O)(=O)[C@@H]2CCNC2)n1.Cl
InChIInChI=1S/C9H12ClN3O2S.ClH/c1-6-4-8(10)13-9(12-6)16(14,15)7-2-3-11-5-7;/h4,7,11H,2-3,5H2,1H3;1H/t7-;/m1./s1
InChIKeySIFLZAPSEBRLJL-OGFXRTJISA-N
MW298.20 g/mol
LogP1.00
Rot. Bonds2

About 4-chloro-6-methyl-2-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride

4-chloro-6-methyl-2-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride (PubChem CID 71639162) has the molecular formula C9H13Cl2N3O2S and a molecular weight of 298.20 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride.

Molecular Properties

Compound Name4-chloro-6-methyl-2-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride
PubChem CID71639162
Molecular FormulaC9H13Cl2N3O2S
Molecular Weight298.20 g/mol
Exact Mass297.01
IUPAC Name4-chloro-6-methyl-2-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride
SMILESCc1cc(Cl)nc(S(=O)(=O)[C@@H]2CCNC2)n1.Cl
InChIInChI=1S/C9H12ClN3O2S.ClH/c1-6-4-8(10)13-9(12-6)16(14,15)7-2-3-11-5-7;/h4,7,11H,2-3,5H2,1H3;1H/t7-;/m1./s1
InChIKeySIFLZAPSEBRLJL-OGFXRTJISA-N
XLogP1.00
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.20
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-6-methyl-2-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride?
The IUPAC name of 4-chloro-6-methyl-2-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride (CID 71639162) is 4-chloro-6-methyl-2-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride.
What is the SMILES notation for 4-chloro-6-methyl-2-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride?
The canonical SMILES for 4-chloro-6-methyl-2-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride is Cc1cc(Cl)nc(S(=O)(=O)[C@@H]2CCNC2)n1.Cl.
What is the InChIKey of 4-chloro-6-methyl-2-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride?
The InChIKey is SIFLZAPSEBRLJL-OGFXRTJISA-N. The full InChI is InChI=1S/C9H12ClN3O2S.ClH/c1-6-4-8(10)13-9(12-6)16(14,15)7-2-3-11-5-7;/h4,7,11H,2-3,5H2,1H3;1H/t7-;/m1./s1.
What are the key properties of 4-chloro-6-methyl-2-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride?
4-chloro-6-methyl-2-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride has a molecular weight of 298.20 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-2-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride is sourced from PubChem (CID 71639162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).