6-(cyclohexylamino)-2-methyl-1H-pyrimidine-4-thione

C11H17N3S — CID 82457177

IUPAC6-(cyclohexylamino)-2-methyl-1H-pyrimidine-4-thione
SMILESCc1nc(=S)cc(NC2CCCCC2)[nH]1
InChIInChI=1S/C11H17N3S/c1-8-12-10(7-11(15)13-8)14-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyCOZHZUATLVOKDJ-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.19
Rot. Bonds2

About 6-(cyclohexylamino)-2-methyl-1H-pyrimidine-4-thione

6-(cyclohexylamino)-2-methyl-1H-pyrimidine-4-thione (PubChem CID 82457177) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 6-(cyclohexylamino)-2-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(cyclohexylamino)-2-methyl-1H-pyrimidine-4-thione
PubChem CID82457177
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name6-(cyclohexylamino)-2-methyl-1H-pyrimidine-4-thione
SMILESCc1nc(=S)cc(NC2CCCCC2)[nH]1
InChIInChI=1S/C11H17N3S/c1-8-12-10(7-11(15)13-8)14-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyCOZHZUATLVOKDJ-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
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

2-amino-6-(heptan-4-ylamino)-1H-pyrimidine-4-thione
CID 134569086
6-(hexylamino)-1H-pyrimidine-4-thione
CID 82457080
6-(cyclohexylamino)-1H-pyrimidine-4-thione
CID 82457114
2-methyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione
CID 82457142
6-(hexylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457144
6-(butylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457151
2-methyl-6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione
CID 82457154
6-(cyclopentylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457163
6-(butan-2-ylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457171
2-methyl-6-(pentylamino)-1H-pyrimidine-4-thione
CID 82457172
6-(cycloheptylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457187
2-ethyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione
CID 82457205

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylamino)-2-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 6-(cyclohexylamino)-2-methyl-1H-pyrimidine-4-thione (CID 82457177) is 6-(cyclohexylamino)-2-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(cyclohexylamino)-2-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(cyclohexylamino)-2-methyl-1H-pyrimidine-4-thione is Cc1nc(=S)cc(NC2CCCCC2)[nH]1.
What is the InChIKey of 6-(cyclohexylamino)-2-methyl-1H-pyrimidine-4-thione?
The InChIKey is COZHZUATLVOKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-8-12-10(7-11(15)13-8)14-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H2,12,13,14,15).
What are the key properties of 6-(cyclohexylamino)-2-methyl-1H-pyrimidine-4-thione?
6-(cyclohexylamino)-2-methyl-1H-pyrimidine-4-thione has a molecular weight of 223.34 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylamino)-2-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).