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

C10H15N3S — CID 82457114

IUPAC6-(cyclohexylamino)-1H-pyrimidine-4-thione
SMILESS=c1cc(NC2CCCCC2)[nH]cn1
InChIInChI=1S/C10H15N3S/c14-10-6-9(11-7-12-10)13-8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,11,12,13,14)
InChIKeyUYXFMNUOPQYDPA-UHFFFAOYSA-N
MW209.32 g/mol
LogP2.88
Rot. Bonds2

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

6-(cyclohexylamino)-1H-pyrimidine-4-thione (PubChem CID 82457114) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 6-(cyclohexylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(cyclohexylamino)-1H-pyrimidine-4-thione
PubChem CID82457114
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name6-(cyclohexylamino)-1H-pyrimidine-4-thione
SMILESS=c1cc(NC2CCCCC2)[nH]cn1
InChIInChI=1S/C10H15N3S/c14-10-6-9(11-7-12-10)13-8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,11,12,13,14)
InChIKeyUYXFMNUOPQYDPA-UHFFFAOYSA-N
XLogP2.88
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 52.88
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-(2-methylpiperidino)-4(3H)-pyrimidinethione
CID 50743317
6-(2-ethylpiperidin-1-yl)pyrimidine-4(3H)-thione
CID 51358668
6-(hexylamino)-1H-pyrimidine-4-thione
CID 82457080
6-(butylamino)-1H-pyrimidine-4-thione
CID 82457087
6-[(2-methylcyclohexyl)amino]-1H-pyrimidine-4-thione
CID 82457090
6-(cyclopentylamino)-1H-pyrimidine-4-thione
CID 82457099
6-(butan-2-ylamino)-1H-pyrimidine-4-thione
CID 82457108
6-(pentylamino)-1H-pyrimidine-4-thione
CID 82457109
6-(cycloheptylamino)-1H-pyrimidine-4-thione
CID 82457124
6-(cyclohexylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457177
6-(cyclohexylamino)-2-ethyl-1H-pyrimidine-4-thione
CID 82457239

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 6-(cyclohexylamino)-1H-pyrimidine-4-thione (CID 82457114) is 6-(cyclohexylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(cyclohexylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(cyclohexylamino)-1H-pyrimidine-4-thione is S=c1cc(NC2CCCCC2)[nH]cn1.
What is the InChIKey of 6-(cyclohexylamino)-1H-pyrimidine-4-thione?
The InChIKey is UYXFMNUOPQYDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c14-10-6-9(11-7-12-10)13-8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,11,12,13,14).
What are the key properties of 6-(cyclohexylamino)-1H-pyrimidine-4-thione?
6-(cyclohexylamino)-1H-pyrimidine-4-thione has a molecular weight of 209.32 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).