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

C7H10F3N5 — CID 3041987

IUPAC2-N-propan-2-yl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C7H10F3N5/c1-3(2)12-6-14-4(7(8,9)10)13-5(11)15-6/h3H,1-2H3,(H3,11,12,13,14,15)
InChIKeyCWLWGVAGWHMGRJ-UHFFFAOYSA-N
MW221.19 g/mol
LogP1.29
Rot. Bonds2

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

2-N-propan-2-yl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 3041987) has the molecular formula C7H10F3N5 and a molecular weight of 221.19 g/mol. Its IUPAC name is 2-N-propan-2-yl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-propan-2-yl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
PubChem CID3041987
Molecular FormulaC7H10F3N5
Molecular Weight221.19 g/mol
Exact Mass221.09
IUPAC Name2-N-propan-2-yl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C7H10F3N5/c1-3(2)12-6-14-4(7(8,9)10)13-5(11)15-6/h3H,1-2H3,(H3,11,12,13,14,15)
InChIKeyCWLWGVAGWHMGRJ-UHFFFAOYSA-N
XLogP1.29
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,3,5-Triazine-2,4-diamine, N,N'-diethyl-6-(trifluoromethyl)-
CID 12871
4,6-Bis-isopropylamino-[1,3,5]triazine-2-carbonitrile
CID 644401
s-Triazine, 4,6-bis(isopropylamino)-2-ethyl-
CID 33405
s-Triazine, 2-amino-4-cyclohexylamino-6-trifluoromethyl-
CID 120801
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-Triazin-2-amine, N-ethyl-4-methyl-6-(trifluoromethyl)-
CID 3041968
1,3,5-Triazin-2-amine, N-cyclohexyl-4-methyl-6-(trifluoromethyl)-
CID 3041969
2-Difluoromethyl-4-amino-6-methylamino-s-triazine
CID 129787032

Frequently Asked Questions

What is the IUPAC name of 2-N-propan-2-yl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-propan-2-yl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine (CID 3041987) is 2-N-propan-2-yl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-propan-2-yl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-propan-2-yl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine is CC(C)Nc1nc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 2-N-propan-2-yl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is CWLWGVAGWHMGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N5/c1-3(2)12-6-14-4(7(8,9)10)13-5(11)15-6/h3H,1-2H3,(H3,11,12,13,14,15).
What are the key properties of 2-N-propan-2-yl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
2-N-propan-2-yl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 221.19 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-propan-2-yl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 3041987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).