4-cyclohexyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine

C16H20N4S — CID 65143794

IUPAC4-cyclohexyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(CSc2ccccc2)nc(C2CCCCC2)n1
InChIInChI=1S/C16H20N4S/c17-16-19-14(11-21-13-9-5-2-6-10-13)18-15(20-16)12-7-3-1-4-8-12/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H2,17,18,19,20)
InChIKeyLUVBXVORJJIWDV-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.79
Rot. Bonds4

About 4-cyclohexyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine

4-cyclohexyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine (PubChem CID 65143794) has the molecular formula C16H20N4S and a molecular weight of 300.43 g/mol. Its IUPAC name is 4-cyclohexyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclohexyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine
PubChem CID65143794
Molecular FormulaC16H20N4S
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC Name4-cyclohexyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(CSc2ccccc2)nc(C2CCCCC2)n1
InChIInChI=1S/C16H20N4S/c17-16-19-14(11-21-13-9-5-2-6-10-13)18-15(20-16)12-7-3-1-4-8-12/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H2,17,18,19,20)
InChIKeyLUVBXVORJJIWDV-UHFFFAOYSA-N
XLogP3.79
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(Phenylthio)methyl]-6-(1-piperidinyl)-1,3,5-triazin-2-amine
CID 627279
4-(4-Methylpiperazin-1-yl)-6-(1-phenylsulfanylbutyl)-1,3,5-triazin-2-amine;hydrochloride
CID 172439057
4-(4-Methylpiperazin-1-yl)-6-(1-phenylsulfanylpropyl)-1,3,5-triazin-2-amine;hydrochloride
CID 172448139
4-(4-Methylpiperazin-1-yl)-6-(1-phenylsulfanylpropyl)-1,3,5-triazin-2-amine
CID 172448140
4-(4-Methylpiperazin-1-yl)-6-(3-phenylsulfanylpropyl)-1,3,5-triazin-2-amine;hydrochloride
CID 172448231
4-(4-Methylpiperazin-1-yl)-6-(1-phenylsulfanylpentyl)-1,3,5-triazin-2-amine;hydrochloride
CID 172455031
4-(1-Benzylsulfanylbutyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;hydrochloride
CID 172468029
4-(1-Benzylsulfanylpentyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;hydrochloride
CID 172469696
6-(4-Methylphenylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
CID 129765332
4-Ethyl-6-[(4-fluorophenyl)sulfanylmethyl]-1,3,5-triazin-2-amine
CID 66065142
4-[(4-Fluorophenyl)sulfanylmethyl]-6-propyl-1,3,5-triazin-2-amine
CID 66065143
4-[(4-Fluorophenyl)sulfanylmethyl]-6-propan-2-yl-1,3,5-triazin-2-amine
CID 66065144

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclohexyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine (CID 65143794) is 4-cyclohexyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclohexyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclohexyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine is Nc1nc(CSc2ccccc2)nc(C2CCCCC2)n1.
What is the InChIKey of 4-cyclohexyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is LUVBXVORJJIWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4S/c17-16-19-14(11-21-13-9-5-2-6-10-13)18-15(20-16)12-7-3-1-4-8-12/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H2,17,18,19,20).
What are the key properties of 4-cyclohexyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine?
4-cyclohexyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 300.43 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 65143794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).