2-(cyclohexylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one

C11H16N2O2S — CID 65139571

IUPAC2-(cyclohexylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(CSC2CCCCC2)[nH]1
InChIInChI=1S/C11H16N2O2S/c14-10-6-11(15)13-9(12-10)7-16-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H2,12,13,14,15)
InChIKeyUYUXYWYMRLICJV-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.04
Rot. Bonds3

About 2-(cyclohexylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one

2-(cyclohexylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 65139571) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-(cyclohexylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(cyclohexylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID65139571
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2-(cyclohexylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(CSC2CCCCC2)[nH]1
InChIInChI=1S/C11H16N2O2S/c14-10-6-11(15)13-9(12-10)7-16-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H2,12,13,14,15)
InChIKeyUYUXYWYMRLICJV-UHFFFAOYSA-N
XLogP2.04
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(cyclohexylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one (CID 65139571) is 2-(cyclohexylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(cyclohexylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(cyclohexylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one is O=c1cc(O)nc(CSC2CCCCC2)[nH]1.
What is the InChIKey of 2-(cyclohexylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is UYUXYWYMRLICJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c14-10-6-11(15)13-9(12-10)7-16-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H2,12,13,14,15).
What are the key properties of 2-(cyclohexylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one?
2-(cyclohexylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 240.33 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylsulfanylmethyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 65139571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).