2-cyclohexyl-6-propan-2-yl-1H-pyrimidine-4-thione

C13H20N2S — CID 106475407

IUPAC2-cyclohexyl-6-propan-2-yl-1H-pyrimidine-4-thione
SMILESCC(C)c1cc(=S)nc(C2CCCCC2)[nH]1
InChIInChI=1S/C13H20N2S/c1-9(2)11-8-12(16)15-13(14-11)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyXDPPGSNINRJUFS-UHFFFAOYSA-N
MW236.38 g/mol
LogP4.31
Rot. Bonds2

About 2-cyclohexyl-6-propan-2-yl-1H-pyrimidine-4-thione

2-cyclohexyl-6-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 106475407) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 2-cyclohexyl-6-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-cyclohexyl-6-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID106475407
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name2-cyclohexyl-6-propan-2-yl-1H-pyrimidine-4-thione
SMILESCC(C)c1cc(=S)nc(C2CCCCC2)[nH]1
InChIInChI=1S/C13H20N2S/c1-9(2)11-8-12(16)15-13(14-11)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyXDPPGSNINRJUFS-UHFFFAOYSA-N
XLogP4.31
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3,3-difluorocyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 114217011
2-(3,3-difluorocyclohexyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 114217016
4-(cyclohexylmethyl)-2-methyl-6-methylidene-1H-pyrimidine
CID 139479300
2-cyclopentyl-6-propyl-1H-pyrimidine-4-thione
CID 106475044
2-(4-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475050
2-(4,4-dimethylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475055
2-(3-methylbutyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475073
2-(cyclopropylmethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475085
2-cycloheptyl-6-propyl-1H-pyrimidine-4-thione
CID 106475093
2-(4-propan-2-ylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475128
2-cyclohexyl-6-propyl-1H-pyrimidine-4-thione
CID 106475149
2-(3-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475152

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 2-cyclohexyl-6-propan-2-yl-1H-pyrimidine-4-thione (CID 106475407) is 2-cyclohexyl-6-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-cyclohexyl-6-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-cyclohexyl-6-propan-2-yl-1H-pyrimidine-4-thione is CC(C)c1cc(=S)nc(C2CCCCC2)[nH]1.
What is the InChIKey of 2-cyclohexyl-6-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is XDPPGSNINRJUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-9(2)11-8-12(16)15-13(14-11)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 2-cyclohexyl-6-propan-2-yl-1H-pyrimidine-4-thione?
2-cyclohexyl-6-propan-2-yl-1H-pyrimidine-4-thione has a molecular weight of 236.38 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).