2-cyclohexyl-1H-pyrimidine-6-thione

C10H14N2S — CID 106476419

IUPAC2-cyclohexyl-1H-pyrimidine-6-thione
SMILESS=c1ccnc(C2CCCCC2)[nH]1
InChIInChI=1S/C10H14N2S/c13-9-6-7-11-10(12-9)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,11,12,13)
InChIKeyRUUVTNGGYKFMNY-UHFFFAOYSA-N
MW194.30 g/mol
LogP3.19
Rot. Bonds1

About 2-cyclohexyl-1H-pyrimidine-6-thione

2-cyclohexyl-1H-pyrimidine-6-thione (PubChem CID 106476419) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-cyclohexyl-1H-pyrimidine-6-thione.

Molecular Properties

Compound Name2-cyclohexyl-1H-pyrimidine-6-thione
PubChem CID106476419
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name2-cyclohexyl-1H-pyrimidine-6-thione
SMILESS=c1ccnc(C2CCCCC2)[nH]1
InChIInChI=1S/C10H14N2S/c13-9-6-7-11-10(12-9)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,11,12,13)
InChIKeyRUUVTNGGYKFMNY-UHFFFAOYSA-N
XLogP3.19
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1H-pyrimidine-6-thione?
The IUPAC name of 2-cyclohexyl-1H-pyrimidine-6-thione (CID 106476419) is 2-cyclohexyl-1H-pyrimidine-6-thione.
What is the SMILES notation for 2-cyclohexyl-1H-pyrimidine-6-thione?
The canonical SMILES for 2-cyclohexyl-1H-pyrimidine-6-thione is S=c1ccnc(C2CCCCC2)[nH]1.
What is the InChIKey of 2-cyclohexyl-1H-pyrimidine-6-thione?
The InChIKey is RUUVTNGGYKFMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c13-9-6-7-11-10(12-9)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,11,12,13).
What are the key properties of 2-cyclohexyl-1H-pyrimidine-6-thione?
2-cyclohexyl-1H-pyrimidine-6-thione has a molecular weight of 194.30 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1H-pyrimidine-6-thione is sourced from PubChem (CID 106476419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).