N-butyl-4-methylsulfanyl-1,3,5-triazin-2-amine

C8H14N4S — CID 56980658

IUPACN-butyl-4-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCCCCNc1ncnc(SC)n1
InChIInChI=1S/C8H14N4S/c1-3-4-5-9-7-10-6-11-8(12-7)13-2/h6H,3-5H2,1-2H3,(H,9,10,11,12)
InChIKeyZJIGUARSQXVPKJ-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.81
Rot. Bonds5

About N-butyl-4-methylsulfanyl-1,3,5-triazin-2-amine

N-butyl-4-methylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 56980658) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is N-butyl-4-methylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-butyl-4-methylsulfanyl-1,3,5-triazin-2-amine
PubChem CID56980658
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC NameN-butyl-4-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCCCCNc1ncnc(SC)n1
InChIInChI=1S/C8H14N4S/c1-3-4-5-9-7-10-6-11-8(12-7)13-2/h6H,3-5H2,1-2H3,(H,9,10,11,12)
InChIKeyZJIGUARSQXVPKJ-UHFFFAOYSA-N
XLogP1.81
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-methylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of N-butyl-4-methylsulfanyl-1,3,5-triazin-2-amine (CID 56980658) is N-butyl-4-methylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-butyl-4-methylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-butyl-4-methylsulfanyl-1,3,5-triazin-2-amine is CCCCNc1ncnc(SC)n1.
What is the InChIKey of N-butyl-4-methylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is ZJIGUARSQXVPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-3-4-5-9-7-10-6-11-8(12-7)13-2/h6H,3-5H2,1-2H3,(H,9,10,11,12).
What are the key properties of N-butyl-4-methylsulfanyl-1,3,5-triazin-2-amine?
N-butyl-4-methylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 198.29 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-methylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 56980658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).