2-cyclohexyl-6-(ethylamino)-1H-pyrimidine-4-thione

C12H19N3S — CID 82457547

IUPAC2-cyclohexyl-6-(ethylamino)-1H-pyrimidine-4-thione
SMILESCCNc1cc(=S)nc(C2CCCCC2)[nH]1
InChIInChI=1S/C12H19N3S/c1-2-13-10-8-11(16)15-12(14-10)9-6-4-3-5-7-9/h8-9H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyVKOPSEUFYRRRDQ-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.62
Rot. Bonds3

About 2-cyclohexyl-6-(ethylamino)-1H-pyrimidine-4-thione

2-cyclohexyl-6-(ethylamino)-1H-pyrimidine-4-thione (PubChem CID 82457547) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-cyclohexyl-6-(ethylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-cyclohexyl-6-(ethylamino)-1H-pyrimidine-4-thione
PubChem CID82457547
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name2-cyclohexyl-6-(ethylamino)-1H-pyrimidine-4-thione
SMILESCCNc1cc(=S)nc(C2CCCCC2)[nH]1
InChIInChI=1S/C12H19N3S/c1-2-13-10-8-11(16)15-12(14-10)9-6-4-3-5-7-9/h8-9H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyVKOPSEUFYRRRDQ-UHFFFAOYSA-N
XLogP3.62
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-cyclohexyl-6-(ethylamino)-1H-pyrimidine-4-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione
CID 82457090
6-(hexylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457144
2-methyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione
CID 82457154
6-(cyclohexylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457177
2-methyl-6-(3-methylbutylamino)-1H-pyrimidine-4-thione
CID 82457184
2-ethyl-6-(hexylamino)-1H-pyrimidine-4-thione
CID 82457207
2-ethyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione
CID 82457216
2-ethyl-6-(pentylamino)-1H-pyrimidine-4-thione
CID 82457234
6-(cyclohexylamino)-2-ethyl-1H-pyrimidine-4-thione
CID 82457239
2-ethyl-6-(3-methylbutylamino)-1H-pyrimidine-4-thione
CID 82457245
6-(hexylamino)-2-propan-2-yl-1H-pyrimidine-4-thione
CID 82457268
6-(butylamino)-2-propan-2-yl-1H-pyrimidine-4-thione
CID 82457275

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-(ethylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 2-cyclohexyl-6-(ethylamino)-1H-pyrimidine-4-thione (CID 82457547) is 2-cyclohexyl-6-(ethylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-cyclohexyl-6-(ethylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-cyclohexyl-6-(ethylamino)-1H-pyrimidine-4-thione is CCNc1cc(=S)nc(C2CCCCC2)[nH]1.
What is the InChIKey of 2-cyclohexyl-6-(ethylamino)-1H-pyrimidine-4-thione?
The InChIKey is VKOPSEUFYRRRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-2-13-10-8-11(16)15-12(14-10)9-6-4-3-5-7-9/h8-9H,2-7H2,1H3,(H2,13,14,15,16).
What are the key properties of 2-cyclohexyl-6-(ethylamino)-1H-pyrimidine-4-thione?
2-cyclohexyl-6-(ethylamino)-1H-pyrimidine-4-thione has a molecular weight of 237.37 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-(ethylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).