4,6-dichloro-5-cyclohex-2-en-1-yl-2-methylsulfanylpyrimidine

C11H12Cl2N2S — CID 46868231

IUPAC4,6-dichloro-5-cyclohex-2-en-1-yl-2-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)c(C2C=CCCC2)c(Cl)n1
InChIInChI=1S/C11H12Cl2N2S/c1-16-11-14-9(12)8(10(13)15-11)7-5-3-2-4-6-7/h3,5,7H,2,4,6H2,1H3
InChIKeySBTZBSGZRKOCPH-UHFFFAOYSA-N
MW275.20 g/mol
LogP4.33
Rot. Bonds2

About 4,6-dichloro-5-cyclohex-2-en-1-yl-2-methylsulfanylpyrimidine

4,6-dichloro-5-cyclohex-2-en-1-yl-2-methylsulfanylpyrimidine (PubChem CID 46868231) has the molecular formula C11H12Cl2N2S and a molecular weight of 275.20 g/mol. Its IUPAC name is 4,6-dichloro-5-cyclohex-2-en-1-yl-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-cyclohex-2-en-1-yl-2-methylsulfanylpyrimidine
PubChem CID46868231
Molecular FormulaC11H12Cl2N2S
Molecular Weight275.20 g/mol
Exact Mass274.01
IUPAC Name4,6-dichloro-5-cyclohex-2-en-1-yl-2-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)c(C2C=CCCC2)c(Cl)n1
InChIInChI=1S/C11H12Cl2N2S/c1-16-11-14-9(12)8(10(13)15-11)7-5-3-2-4-6-7/h3,5,7H,2,4,6H2,1H3
InChIKeySBTZBSGZRKOCPH-UHFFFAOYSA-N
XLogP4.33
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.20
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4,6-dichloro-5-cyclohex-2-en-1-yl-2-methylsulfanylpyrimidine 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

3,6-dichloro-4-cyclohex-2-en-1-ylpyridazine
CID 129110748
4-cyclohex-2-en-1-yl-2,5-dimethylpyrimidine
CID 156842568
2-cyclohex-2-en-1-yl-1,3-dimethoxybenzene
CID 11424515
2-chloro-5-[(1R)-cyclohex-2-en-1-yl]pyridine
CID 94035152
3-cyclohex-2-en-1-yl-2-hydroxy-8-methylpyrimido[1,2-a]pyrimidin-4-one
CID 135873142
4-cyclohex-2-en-1-ylpyridine
CID 12718499
9-cyclohex-2-en-1-yl-10-cyclohexyl-1,2,3,4,5,6,7,8-octahydroanthracene
CID 163515199
5-[(1R)-cyclohex-2-en-1-yl]-2-methylpyridine
CID 94035148
4,6-dichloro-5-methoxy-2-methylsulfanylpyrimidine
CID 15003627
2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-cyclohexylamino]ethanol
CID 80811563
7-chloro-5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine
CID 89272586
6-chloro-N-(cyclobutylmethyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80546756

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-cyclohex-2-en-1-yl-2-methylsulfanylpyrimidine?
The IUPAC name of 4,6-dichloro-5-cyclohex-2-en-1-yl-2-methylsulfanylpyrimidine (CID 46868231) is 4,6-dichloro-5-cyclohex-2-en-1-yl-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4,6-dichloro-5-cyclohex-2-en-1-yl-2-methylsulfanylpyrimidine?
The canonical SMILES for 4,6-dichloro-5-cyclohex-2-en-1-yl-2-methylsulfanylpyrimidine is CSc1nc(Cl)c(C2C=CCCC2)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-cyclohex-2-en-1-yl-2-methylsulfanylpyrimidine?
The InChIKey is SBTZBSGZRKOCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2S/c1-16-11-14-9(12)8(10(13)15-11)7-5-3-2-4-6-7/h3,5,7H,2,4,6H2,1H3.
What are the key properties of 4,6-dichloro-5-cyclohex-2-en-1-yl-2-methylsulfanylpyrimidine?
4,6-dichloro-5-cyclohex-2-en-1-yl-2-methylsulfanylpyrimidine has a molecular weight of 275.20 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-cyclohex-2-en-1-yl-2-methylsulfanylpyrimidine is sourced from PubChem (CID 46868231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).