2-(3-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione

C14H22N2S — CID 106475152

IUPAC2-(3-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(C2CCCC(C)C2)[nH]1
InChIInChI=1S/C14H22N2S/c1-3-5-12-9-13(17)16-14(15-12)11-7-4-6-10(2)8-11/h9-11H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyGQPZMYJWDDLIDA-UHFFFAOYSA-N
MW250.41 g/mol
LogP4.39
Rot. Bonds3

About 2-(3-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione

2-(3-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione (PubChem CID 106475152) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 2-(3-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(3-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
PubChem CID106475152
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name2-(3-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(C2CCCC(C)C2)[nH]1
InChIInChI=1S/C14H22N2S/c1-3-5-12-9-13(17)16-14(15-12)11-7-4-6-10(2)8-11/h9-11H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyGQPZMYJWDDLIDA-UHFFFAOYSA-N
XLogP4.39
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 54.39
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-Methyl-4-(1-adamantyl)-6-thiopyrimidine
CID 90716160
2-(3,3-difluorocyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 114217011
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-(2-bicyclo[2.2.1]heptanyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475061
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-(1-adamantyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475122
2-(4-propan-2-ylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475128
2-cyclohexyl-6-propyl-1H-pyrimidine-4-thione
CID 106475149

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(3-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione (CID 106475152) is 2-(3-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(3-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(3-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione is CCCc1cc(=S)nc(C2CCCC(C)C2)[nH]1.
What is the InChIKey of 2-(3-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione?
The InChIKey is GQPZMYJWDDLIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-3-5-12-9-13(17)16-14(15-12)11-7-4-6-10(2)8-11/h9-11H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(3-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione?
2-(3-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione has a molecular weight of 250.41 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).