4-[(cyclohexylamino)methyl]-6-pentylsulfanyl-1,3,5-triazin-2-amine

C15H27N5S — CID 22349811

IUPAC4-[(cyclohexylamino)methyl]-6-pentylsulfanyl-1,3,5-triazin-2-amine
SMILESCCCCCSc1nc(N)nc(CNC2CCCCC2)n1
InChIInChI=1S/C15H27N5S/c1-2-3-7-10-21-15-19-13(18-14(16)20-15)11-17-12-8-5-4-6-9-12/h12,17H,2-11H2,1H3,(H2,16,18,19,20)
InChIKeyRJMMRQSTFGVXLI-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.16
Rot. Bonds8

About 4-[(cyclohexylamino)methyl]-6-pentylsulfanyl-1,3,5-triazin-2-amine

4-[(cyclohexylamino)methyl]-6-pentylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 22349811) has the molecular formula C15H27N5S and a molecular weight of 309.48 g/mol. Its IUPAC name is 4-[(cyclohexylamino)methyl]-6-pentylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(cyclohexylamino)methyl]-6-pentylsulfanyl-1,3,5-triazin-2-amine
PubChem CID22349811
Molecular FormulaC15H27N5S
Molecular Weight309.48 g/mol
Exact Mass309.20
IUPAC Name4-[(cyclohexylamino)methyl]-6-pentylsulfanyl-1,3,5-triazin-2-amine
SMILESCCCCCSc1nc(N)nc(CNC2CCCCC2)n1
InChIInChI=1S/C15H27N5S/c1-2-3-7-10-21-15-19-13(18-14(16)20-15)11-17-12-8-5-4-6-9-12/h12,17H,2-11H2,1H3,(H2,16,18,19,20)
InChIKeyRJMMRQSTFGVXLI-UHFFFAOYSA-N
XLogP3.16
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Amino-[4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazin-2-yl]methanethiol
CID 44631848
4-[(Dicyclohexylamino)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 22349770
N'-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine
CID 118921037
N'-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N-methylethane-1,2-diamine
CID 118932888
N-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 121399676
4-Butylsulfanyl-6-[(3-chloropentylamino)methyl]-1,3,5-triazin-2-amine
CID 141054011
N'-(4-methyl-6-pentylsulfanyl-1,3,5-triazin-2-yl)ethane-1,2-diamine
CID 145028934
3-(4-decylsulfanyl-6-methyl-1,3,5-triazin-2-yl)-N-methylpropan-1-amine
CID 157289723
2-Amino-2-[4-(hexylamino)-6-(propylamino)-1,3,5-triazin-2-yl]ethanethiol
CID 173165691
2-N-cyclohexyl-6-ethylsulfanyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 110172779
2-N-cyclohexyl-4-N-methyl-6-propan-2-ylsulfanyl-1,3,5-triazine-2,4-diamine
CID 110172792
6-ethyl-2-N-(4-methylsulfanylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 112746466

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclohexylamino)methyl]-6-pentylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(cyclohexylamino)methyl]-6-pentylsulfanyl-1,3,5-triazin-2-amine (CID 22349811) is 4-[(cyclohexylamino)methyl]-6-pentylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(cyclohexylamino)methyl]-6-pentylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(cyclohexylamino)methyl]-6-pentylsulfanyl-1,3,5-triazin-2-amine is CCCCCSc1nc(N)nc(CNC2CCCCC2)n1.
What is the InChIKey of 4-[(cyclohexylamino)methyl]-6-pentylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is RJMMRQSTFGVXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5S/c1-2-3-7-10-21-15-19-13(18-14(16)20-15)11-17-12-8-5-4-6-9-12/h12,17H,2-11H2,1H3,(H2,16,18,19,20).
What are the key properties of 4-[(cyclohexylamino)methyl]-6-pentylsulfanyl-1,3,5-triazin-2-amine?
4-[(cyclohexylamino)methyl]-6-pentylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 309.48 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclohexylamino)methyl]-6-pentylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 22349811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).