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

C8H12F3N5 — CID 12871

IUPAC2-N,4-N-diethyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCC)nc(C(F)(F)F)n1
InChIInChI=1S/C8H12F3N5/c1-3-12-6-14-5(8(9,10)11)15-7(16-6)13-4-2/h3-4H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyVLKWQQFBFMQSNA-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.75
Rot. Bonds4

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

2-N,4-N-diethyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 12871) has the molecular formula C8H12F3N5 and a molecular weight of 235.21 g/mol. Its IUPAC name is 2-N,4-N-diethyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-diethyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
PubChem CID12871
Molecular FormulaC8H12F3N5
Molecular Weight235.21 g/mol
Exact Mass235.10
IUPAC Name2-N,4-N-diethyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCC)nc(C(F)(F)F)n1
InChIInChI=1S/C8H12F3N5/c1-3-12-6-14-5(8(9,10)11)15-7(16-6)13-4-2/h3-4H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyVLKWQQFBFMQSNA-UHFFFAOYSA-N
XLogP1.75
TPSA62.73 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 ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-4-N-ethyl-2-N-(trifluoromethyl)-1,3,5-triazine-2,4-diamine;methane
CID 88700506
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260
6-chloro-2-N,4-N-diethyl-(1,3,5-15N3)1,3,5-triazine-2,4-diamine
CID 91927796
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216
2-N,4-N-di(propan-2-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 67989157
2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 19357503
4-N-(2,2-dimethylbutyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773403
butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 87719227
6-chloro-4-N-ethyl-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 14822093
6-N-ethyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770433
N-ethyl-6-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773628
N-ethyl-2-(trifluoromethyl)quinazolin-4-amine
CID 21003229

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-diethyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-diethyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine (CID 12871) is 2-N,4-N-diethyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-diethyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-diethyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine is CCNc1nc(NCC)nc(C(F)(F)F)n1.
What is the InChIKey of 2-N,4-N-diethyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is VLKWQQFBFMQSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N5/c1-3-12-6-14-5(8(9,10)11)15-7(16-6)13-4-2/h3-4H2,1-2H3,(H2,12,13,14,15,16).
What are the key properties of 2-N,4-N-diethyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
2-N,4-N-diethyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 235.21 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-diethyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 12871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).