4-butylsulfanyl-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine

C13H23N5S — CID 80885060

IUPAC4-butylsulfanyl-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCCCCSc1nc(NC)nc(N2CCCCC2)n1
InChIInChI=1S/C13H23N5S/c1-3-4-10-19-13-16-11(14-2)15-12(17-13)18-8-6-5-7-9-18/h3-10H2,1-2H3,(H,14,15,16,17)
InChIKeyIDABKVRQIFEKEG-UHFFFAOYSA-N
MW281.43 g/mol
LogP2.80
Rot. Bonds6

About 4-butylsulfanyl-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine

4-butylsulfanyl-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 80885060) has the molecular formula C13H23N5S and a molecular weight of 281.43 g/mol. Its IUPAC name is 4-butylsulfanyl-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-butylsulfanyl-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID80885060
Molecular FormulaC13H23N5S
Molecular Weight281.43 g/mol
Exact Mass281.17
IUPAC Name4-butylsulfanyl-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCCCCSc1nc(NC)nc(N2CCCCC2)n1
InChIInChI=1S/C13H23N5S/c1-3-4-10-19-13-16-11(14-2)15-12(17-13)18-8-6-5-7-9-18/h3-10H2,1-2H3,(H,14,15,16,17)
InChIKeyIDABKVRQIFEKEG-UHFFFAOYSA-N
XLogP2.80
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]propane-1,2-diol
CID 80895143
4-butylsulfanyl-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80884142
[4-(3-methoxypropylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80929189
4-N-butyl-2-N,4-N-dimethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80753745
(4-ethylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80925076
4-hexoxy-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80842498
N-methyl-4-pentoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80865018
4-tert-butylsulfanyl-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80887435
4-imidazol-1-yl-N-methyl-6-pentylsulfanyl-1,3,5-triazin-2-amine
CID 107765392
N-methyl-4-(2-methylsulfonylethylsulfanyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80881867
N-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80882736
4-chloro-N-methyl-6-octylsulfanyl-1,3,5-triazin-2-amine
CID 167281206

Frequently Asked Questions

What is the IUPAC name of 4-butylsulfanyl-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-butylsulfanyl-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 80885060) is 4-butylsulfanyl-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-butylsulfanyl-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-butylsulfanyl-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine is CCCCSc1nc(NC)nc(N2CCCCC2)n1.
What is the InChIKey of 4-butylsulfanyl-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is IDABKVRQIFEKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5S/c1-3-4-10-19-13-16-11(14-2)15-12(17-13)18-8-6-5-7-9-18/h3-10H2,1-2H3,(H,14,15,16,17).
What are the key properties of 4-butylsulfanyl-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine?
4-butylsulfanyl-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 281.43 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylsulfanyl-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80885060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).