2-cyclohexyl-4,5-dimethyl-6-methylsulfanylpyrimidine

C13H20N2S — CID 44519769

IUPAC2-cyclohexyl-4,5-dimethyl-6-methylsulfanylpyrimidine
SMILESCSc1nc(C2CCCCC2)nc(C)c1C
InChIInChI=1S/C13H20N2S/c1-9-10(2)14-12(15-13(9)16-3)11-7-5-4-6-8-11/h11H,4-8H2,1-3H3
InChIKeyCQWBMXKFLHBKIN-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.86
Rot. Bonds2

About 2-cyclohexyl-4,5-dimethyl-6-methylsulfanylpyrimidine

2-cyclohexyl-4,5-dimethyl-6-methylsulfanylpyrimidine (PubChem CID 44519769) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 2-cyclohexyl-4,5-dimethyl-6-methylsulfanylpyrimidine.

Molecular Properties

Compound Name2-cyclohexyl-4,5-dimethyl-6-methylsulfanylpyrimidine
PubChem CID44519769
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name2-cyclohexyl-4,5-dimethyl-6-methylsulfanylpyrimidine
SMILESCSc1nc(C2CCCCC2)nc(C)c1C
InChIInChI=1S/C13H20N2S/c1-9-10(2)14-12(15-13(9)16-3)11-7-5-4-6-8-11/h11H,4-8H2,1-3H3
InChIKeyCQWBMXKFLHBKIN-UHFFFAOYSA-N
XLogP3.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4,5-dimethyl-6-methylsulfanylpyrimidine?
The IUPAC name of 2-cyclohexyl-4,5-dimethyl-6-methylsulfanylpyrimidine (CID 44519769) is 2-cyclohexyl-4,5-dimethyl-6-methylsulfanylpyrimidine.
What is the SMILES notation for 2-cyclohexyl-4,5-dimethyl-6-methylsulfanylpyrimidine?
The canonical SMILES for 2-cyclohexyl-4,5-dimethyl-6-methylsulfanylpyrimidine is CSc1nc(C2CCCCC2)nc(C)c1C.
What is the InChIKey of 2-cyclohexyl-4,5-dimethyl-6-methylsulfanylpyrimidine?
The InChIKey is CQWBMXKFLHBKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-9-10(2)14-12(15-13(9)16-3)11-7-5-4-6-8-11/h11H,4-8H2,1-3H3.
What are the key properties of 2-cyclohexyl-4,5-dimethyl-6-methylsulfanylpyrimidine?
2-cyclohexyl-4,5-dimethyl-6-methylsulfanylpyrimidine has a molecular weight of 236.38 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4,5-dimethyl-6-methylsulfanylpyrimidine is sourced from PubChem (CID 44519769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).