2-cyclohexylsulfanylpyrimidine

C10H14N2S — CID 88984858

IUPAC2-cyclohexylsulfanylpyrimidine
SMILESc1cnc(SC2CCCCC2)nc1
InChIInChI=1S/C10H14N2S/c1-2-5-9(6-3-1)13-10-11-7-4-8-12-10/h4,7-9H,1-3,5-6H2
InChIKeyLFHNTRYUDYKBOI-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.90
Rot. Bonds2

About 2-cyclohexylsulfanylpyrimidine

2-cyclohexylsulfanylpyrimidine (PubChem CID 88984858) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-cyclohexylsulfanylpyrimidine.

Molecular Properties

Compound Name2-cyclohexylsulfanylpyrimidine
PubChem CID88984858
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name2-cyclohexylsulfanylpyrimidine
SMILESc1cnc(SC2CCCCC2)nc1
InChIInChI=1S/C10H14N2S/c1-2-5-9(6-3-1)13-10-11-7-4-8-12-10/h4,7-9H,1-3,5-6H2
InChIKeyLFHNTRYUDYKBOI-UHFFFAOYSA-N
XLogP2.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanylpyrimidine?
The IUPAC name of 2-cyclohexylsulfanylpyrimidine (CID 88984858) is 2-cyclohexylsulfanylpyrimidine.
What is the SMILES notation for 2-cyclohexylsulfanylpyrimidine?
The canonical SMILES for 2-cyclohexylsulfanylpyrimidine is c1cnc(SC2CCCCC2)nc1.
What is the InChIKey of 2-cyclohexylsulfanylpyrimidine?
The InChIKey is LFHNTRYUDYKBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-2-5-9(6-3-1)13-10-11-7-4-8-12-10/h4,7-9H,1-3,5-6H2.
What are the key properties of 2-cyclohexylsulfanylpyrimidine?
2-cyclohexylsulfanylpyrimidine has a molecular weight of 194.30 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanylpyrimidine is sourced from PubChem (CID 88984858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).