6-(difluoromethylsulfanyl)-4-N-ethyl-2-N-pentyl-1,3,5-triazine-2,4-diamine

C11H19F2N5S — CID 15595043

IUPAC6-(difluoromethylsulfanyl)-4-N-ethyl-2-N-pentyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCNc1nc(NCC)nc(SC(F)F)n1
InChIInChI=1S/C11H19F2N5S/c1-3-5-6-7-15-10-16-9(14-4-2)17-11(18-10)19-8(12)13/h8H,3-7H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyHSDICTPEMUZYTM-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.22
Rot. Bonds9

About 6-(difluoromethylsulfanyl)-4-N-ethyl-2-N-pentyl-1,3,5-triazine-2,4-diamine

6-(difluoromethylsulfanyl)-4-N-ethyl-2-N-pentyl-1,3,5-triazine-2,4-diamine (PubChem CID 15595043) has the molecular formula C11H19F2N5S and a molecular weight of 291.37 g/mol. Its IUPAC name is 6-(difluoromethylsulfanyl)-4-N-ethyl-2-N-pentyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(difluoromethylsulfanyl)-4-N-ethyl-2-N-pentyl-1,3,5-triazine-2,4-diamine
PubChem CID15595043
Molecular FormulaC11H19F2N5S
Molecular Weight291.37 g/mol
Exact Mass291.13
IUPAC Name6-(difluoromethylsulfanyl)-4-N-ethyl-2-N-pentyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCNc1nc(NCC)nc(SC(F)F)n1
InChIInChI=1S/C11H19F2N5S/c1-3-5-6-7-15-10-16-9(14-4-2)17-11(18-10)19-8(12)13/h8H,3-7H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyHSDICTPEMUZYTM-UHFFFAOYSA-N
XLogP3.22
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(difluoromethylsulfanyl)-4-N-ethyl-2-N-pentyl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

Simetryn-sulfonium
CID 177546092
1,3,5-Triazine-2,4-diamine, N-butyl-6-((difluoromethyl)thio)-N'-methyl-
CID 190501
1,3,5-Triazine-2,4-diamine, 6-((difluoromethyl)thio)-N,N'-diethyl-
CID 190507
1,3,5-Triazine-2,4-diamine, 6-((difluoromethyl)thio)-N-ethyl-N'-(1-methylethyl)-
CID 190508
1,3,5-Triazine-2,4-diamine, N-butyl-6-((difluoromethyl)thio)-N'-ethyl-
CID 190509
6-(Difluoromethylthio)-N-ethyl-N-tert-butyl-1,3,5-triazine-2,4-diamine
CID 190512
1,3,5-Triazine-2,4-diamine, 6-((difluoromethyl)thio)-N-(1-methylethyl)-N'-propyl-
CID 190519
Fucaojing
CID 190520
1,3,5-Triazine-2,4-diamine, N-butyl-6-((difluoromethyl)thio)-N'-(1-methylethyl)-
CID 190522
6-[(Difluoromethyl)sulfanyl]-N-ethyl-N'-propyl-1,3,5-triazine-2,4-diamine
CID 13672012
6-(Methylsulfanyl)-N~2~,N~4~-dipropyl-1,3,5-triazine-2,4-diamine
CID 12876595
2-Methyl-thio-4-ethylamino-6-isobutylamino-s-triazine
CID 23424472

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethylsulfanyl)-4-N-ethyl-2-N-pentyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(difluoromethylsulfanyl)-4-N-ethyl-2-N-pentyl-1,3,5-triazine-2,4-diamine (CID 15595043) is 6-(difluoromethylsulfanyl)-4-N-ethyl-2-N-pentyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(difluoromethylsulfanyl)-4-N-ethyl-2-N-pentyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(difluoromethylsulfanyl)-4-N-ethyl-2-N-pentyl-1,3,5-triazine-2,4-diamine is CCCCCNc1nc(NCC)nc(SC(F)F)n1.
What is the InChIKey of 6-(difluoromethylsulfanyl)-4-N-ethyl-2-N-pentyl-1,3,5-triazine-2,4-diamine?
The InChIKey is HSDICTPEMUZYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N5S/c1-3-5-6-7-15-10-16-9(14-4-2)17-11(18-10)19-8(12)13/h8H,3-7H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 6-(difluoromethylsulfanyl)-4-N-ethyl-2-N-pentyl-1,3,5-triazine-2,4-diamine?
6-(difluoromethylsulfanyl)-4-N-ethyl-2-N-pentyl-1,3,5-triazine-2,4-diamine has a molecular weight of 291.37 g/mol, XLogP of 3.22, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethylsulfanyl)-4-N-ethyl-2-N-pentyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 15595043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).