2-(2-chlorophenyl)-4-ethylsulfanyl-6-pyrrolidin-1-ylpyrimidine

C16H18ClN3S — CID 852305

IUPAC2-(2-chlorophenyl)-4-ethylsulfanyl-6-pyrrolidin-1-ylpyrimidine
SMILESCCSc1cc(N2CCCC2)nc(-c2ccccc2Cl)n1
InChIInChI=1S/C16H18ClN3S/c1-2-21-15-11-14(20-9-5-6-10-20)18-16(19-15)12-7-3-4-8-13(12)17/h3-4,7-8,11H,2,5-6,9-10H2,1H3
InChIKeyCKXIFAGCSXPJGS-UHFFFAOYSA-N
MW319.86 g/mol
LogP4.51
Rot. Bonds4

About 2-(2-chlorophenyl)-4-ethylsulfanyl-6-pyrrolidin-1-ylpyrimidine

2-(2-chlorophenyl)-4-ethylsulfanyl-6-pyrrolidin-1-ylpyrimidine (PubChem CID 852305) has the molecular formula C16H18ClN3S and a molecular weight of 319.86 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-ethylsulfanyl-6-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-ethylsulfanyl-6-pyrrolidin-1-ylpyrimidine
PubChem CID852305
Molecular FormulaC16H18ClN3S
Molecular Weight319.86 g/mol
Exact Mass319.09
IUPAC Name2-(2-chlorophenyl)-4-ethylsulfanyl-6-pyrrolidin-1-ylpyrimidine
SMILESCCSc1cc(N2CCCC2)nc(-c2ccccc2Cl)n1
InChIInChI=1S/C16H18ClN3S/c1-2-21-15-11-14(20-9-5-6-10-20)18-16(19-15)12-7-3-4-8-13(12)17/h3-4,7-8,11H,2,5-6,9-10H2,1H3
InChIKeyCKXIFAGCSXPJGS-UHFFFAOYSA-N
XLogP4.51
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-chlorophenyl)-4-ethylsulfanyl-6-pyrrolidin-1-ylpyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-Chlorophenyl)-6-(4-morpholinyl)-4-pyrimidinyl methyl sulfide
CID 852304
Ethyl 2-(3-methylphenyl)-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfide
CID 852307
2-(4-Chlorophenyl)-6-(4-morpholinyl)-4-pyrimidinyl isopropyl sulfide
CID 852308
Ethyl 2-(4-fluorophenyl)-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfide
CID 852309
2-(4-Fluorophenyl)-6-(1-pyrrolidinyl)-4-pyrimidinyl isopropyl sulfide
CID 852310
Ethyl 2-(4-methylphenyl)-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfide
CID 852311
Isopropyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfide
CID 852314
2-(4-Chlorophenyl)-6-(4-morpholinyl)-4-pyrimidinyl ethyl sulfide
CID 852318
2-(2-Chlorophenyl)-6-(1-pyrrolidinyl)-4-pyrimidinyl isopropyl sulfide
CID 7315397
4-[2-[2-(2-Chlorophenyl)pyrimidin-5-yl]ethynyl]-2-methyl-1,3-thiazole
CID 16662934
2-(4-Chlorophenyl)-4-(ethylthio)-6-(1-pyrrolidinyl)pyrimidine
CID 852319
4-(Ethylsulfanyl)-2-phenyl-6-(1-pyrrolidinyl)pyrimidine
CID 852312

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-ethylsulfanyl-6-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 2-(2-chlorophenyl)-4-ethylsulfanyl-6-pyrrolidin-1-ylpyrimidine (CID 852305) is 2-(2-chlorophenyl)-4-ethylsulfanyl-6-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 2-(2-chlorophenyl)-4-ethylsulfanyl-6-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 2-(2-chlorophenyl)-4-ethylsulfanyl-6-pyrrolidin-1-ylpyrimidine is CCSc1cc(N2CCCC2)nc(-c2ccccc2Cl)n1.
What is the InChIKey of 2-(2-chlorophenyl)-4-ethylsulfanyl-6-pyrrolidin-1-ylpyrimidine?
The InChIKey is CKXIFAGCSXPJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3S/c1-2-21-15-11-14(20-9-5-6-10-20)18-16(19-15)12-7-3-4-8-13(12)17/h3-4,7-8,11H,2,5-6,9-10H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-4-ethylsulfanyl-6-pyrrolidin-1-ylpyrimidine?
2-(2-chlorophenyl)-4-ethylsulfanyl-6-pyrrolidin-1-ylpyrimidine has a molecular weight of 319.86 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-ethylsulfanyl-6-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 852305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).