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

C13H19N3S — CID 82457549

IUPAC2-cyclohexyl-6-(cyclopropylamino)-1H-pyrimidine-4-thione
SMILESS=c1cc(NC2CC2)[nH]c(C2CCCCC2)n1
InChIInChI=1S/C13H19N3S/c17-12-8-11(14-10-6-7-10)15-13(16-12)9-4-2-1-3-5-9/h8-10H,1-7H2,(H2,14,15,16,17)
InChIKeyUWLPTJKDWQJXRM-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.76
Rot. Bonds3

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

2-cyclohexyl-6-(cyclopropylamino)-1H-pyrimidine-4-thione (PubChem CID 82457549) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 2-cyclohexyl-6-(cyclopropylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-cyclohexyl-6-(cyclopropylamino)-1H-pyrimidine-4-thione
PubChem CID82457549
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name2-cyclohexyl-6-(cyclopropylamino)-1H-pyrimidine-4-thione
SMILESS=c1cc(NC2CC2)[nH]c(C2CCCCC2)n1
InChIInChI=1S/C13H19N3S/c17-12-8-11(14-10-6-7-10)15-13(16-12)9-4-2-1-3-5-9/h8-10H,1-7H2,(H2,14,15,16,17)
InChIKeyUWLPTJKDWQJXRM-UHFFFAOYSA-N
XLogP3.76
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione
CID 82457216
6-(cyclohexylamino)-2-ethyl-1H-pyrimidine-4-thione
CID 82457239
6-[(2-methylcyclohexyl)amino]-2-propan-2-yl-1H-pyrimidine-4-thione
CID 82457277
6-(cyclohexylamino)-2-propan-2-yl-1H-pyrimidine-4-thione
CID 82457299
6-(cycloheptylamino)-2-propan-2-yl-1H-pyrimidine-4-thione
CID 82457306
6-[(2-methylcyclohexyl)amino]-2-propyl-1H-pyrimidine-4-thione
CID 82457334
6-(cyclohexylamino)-2-propyl-1H-pyrimidine-4-thione
CID 82457356
2-tert-butyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione
CID 82457390
2-tert-butyl-6-(cyclohexylamino)-1H-pyrimidine-4-thione
CID 82457410
2-cyclopropyl-6-(hexylamino)-1H-pyrimidine-4-thione
CID 82457491

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-(cyclopropylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 2-cyclohexyl-6-(cyclopropylamino)-1H-pyrimidine-4-thione (CID 82457549) is 2-cyclohexyl-6-(cyclopropylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-cyclohexyl-6-(cyclopropylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-cyclohexyl-6-(cyclopropylamino)-1H-pyrimidine-4-thione is S=c1cc(NC2CC2)[nH]c(C2CCCCC2)n1.
What is the InChIKey of 2-cyclohexyl-6-(cyclopropylamino)-1H-pyrimidine-4-thione?
The InChIKey is UWLPTJKDWQJXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c17-12-8-11(14-10-6-7-10)15-13(16-12)9-4-2-1-3-5-9/h8-10H,1-7H2,(H2,14,15,16,17).
What are the key properties of 2-cyclohexyl-6-(cyclopropylamino)-1H-pyrimidine-4-thione?
2-cyclohexyl-6-(cyclopropylamino)-1H-pyrimidine-4-thione has a molecular weight of 249.38 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-(cyclopropylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).