2-N-butyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine

C8H12F3N5 — CID 606072

IUPAC2-N-butyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESCCCCNc1nc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C8H12F3N5/c1-2-3-4-13-7-15-5(8(9,10)11)14-6(12)16-7/h2-4H2,1H3,(H3,12,13,14,15,16)
InChIKeyBMPHTDLXYVCNAL-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.68
Rot. Bonds4

About 2-N-butyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine

2-N-butyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 606072) has the molecular formula C8H12F3N5 and a molecular weight of 235.21 g/mol. Its IUPAC name is 2-N-butyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-butyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
PubChem CID606072
Molecular FormulaC8H12F3N5
Molecular Weight235.21 g/mol
Exact Mass235.10
IUPAC Name2-N-butyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESCCCCNc1nc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C8H12F3N5/c1-2-3-4-13-7-15-5(8(9,10)11)14-6(12)16-7/h2-4H2,1H3,(H3,12,13,14,15,16)
InChIKeyBMPHTDLXYVCNAL-UHFFFAOYSA-N
XLogP1.68
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-Triazine-2,4-diamine, N,N'-diethyl-6-(trifluoromethyl)-
CID 12871
N~2~,N~4~-Diethyl-6-methyl-1,3,5-triazine-2,4-diamine
CID 16086
s-Triazine, 2-amino-4-cyclohexylamino-6-trifluoromethyl-
CID 120801
1,3,5-Triazin-2-amine, 4-chloro-N-ethyl-6-propyl-
CID 3044738
s-Triazine, 2,4-bis(isopropylamino)-6-propyl-
CID 33411
s-Triazine, 2-methyl-4-methylamino-6-(trifluoromethyl)-
CID 3041947
s-Triazine, 2-dimethylamino-4-isopropylamino-6-(trifluoromethyl)-
CID 3041954
s-Triazine, 2-isopropylamino-4-methylamino-6-trifluoromethyl-
CID 3041963
N~2~-(Butan-2-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4(1H,3H)-diimine
CID 3041965
1,3,5-Triazine-2,4-diamine, N-(1,1-dimethylethyl)-6-(trifluoromethyl)-
CID 3041966
1,3,5-Triazine-2,4-diamine, N-(3-(4-methyl-1-piperazinyl)propyl)-6-(trifluoromethyl)-
CID 3041967
1,3,5-Triazin-2-amine, N-ethyl-4-methyl-6-(trifluoromethyl)-
CID 3041968

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-butyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine (CID 606072) is 2-N-butyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-butyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-butyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine is CCCCNc1nc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 2-N-butyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is BMPHTDLXYVCNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N5/c1-2-3-4-13-7-15-5(8(9,10)11)14-6(12)16-7/h2-4H2,1H3,(H3,12,13,14,15,16).
What are the key properties of 2-N-butyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
2-N-butyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 235.21 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 606072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).