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

C11H17N3S — CID 82457546

IUPAC2-cyclohexyl-6-(methylamino)-1H-pyrimidine-4-thione
SMILESCNc1cc(=S)nc(C2CCCCC2)[nH]1
InChIInChI=1S/C11H17N3S/c1-12-9-7-10(15)14-11(13-9)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyNBCIQCWRXJYVIS-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.23
Rot. Bonds2

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

2-cyclohexyl-6-(methylamino)-1H-pyrimidine-4-thione (PubChem CID 82457546) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-cyclohexyl-6-(methylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-cyclohexyl-6-(methylamino)-1H-pyrimidine-4-thione
PubChem CID82457546
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name2-cyclohexyl-6-(methylamino)-1H-pyrimidine-4-thione
SMILESCNc1cc(=S)nc(C2CCCCC2)[nH]1
InChIInChI=1S/C11H17N3S/c1-12-9-7-10(15)14-11(13-9)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyNBCIQCWRXJYVIS-UHFFFAOYSA-N
XLogP3.23
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-cyclohexyl-6-(methylamino)-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
2-methyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione
CID 82457154
2-ethyl-6-(hexylamino)-1H-pyrimidine-4-thione
CID 82457207
2-ethyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione
CID 82457216
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-[(2-methylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidine-4-thione
CID 82457277
6-(pentylamino)-2-propan-2-yl-1H-pyrimidine-4-thione
CID 82457295
6-(cyclohexylamino)-2-propan-2-yl-1H-pyrimidine-4-thione
CID 82457299
6-(3-methylbutylamino)-2-propan-2-yl-1H-pyrimidine-4-thione
CID 82457304
6-(hexylamino)-2-propyl-1H-pyrimidine-4-thione
CID 82457325

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-(methylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 2-cyclohexyl-6-(methylamino)-1H-pyrimidine-4-thione (CID 82457546) is 2-cyclohexyl-6-(methylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-cyclohexyl-6-(methylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-cyclohexyl-6-(methylamino)-1H-pyrimidine-4-thione is CNc1cc(=S)nc(C2CCCCC2)[nH]1.
What is the InChIKey of 2-cyclohexyl-6-(methylamino)-1H-pyrimidine-4-thione?
The InChIKey is NBCIQCWRXJYVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-12-9-7-10(15)14-11(13-9)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H2,12,13,14,15).
What are the key properties of 2-cyclohexyl-6-(methylamino)-1H-pyrimidine-4-thione?
2-cyclohexyl-6-(methylamino)-1H-pyrimidine-4-thione has a molecular weight of 223.34 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-(methylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).