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

C9H14F3N5O — CID 112746508

IUPAC2-N-(2-ethoxypropyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESCCOC(C)CNc1nc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C9H14F3N5O/c1-3-18-5(2)4-14-8-16-6(9(10,11)12)15-7(13)17-8/h5H,3-4H2,1-2H3,(H3,13,14,15,16,17)
InChIKeyVWTCKYQWDSROGK-UHFFFAOYSA-N
MW265.24 g/mol
LogP1.31
Rot. Bonds5

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

2-N-(2-ethoxypropyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 112746508) has the molecular formula C9H14F3N5O and a molecular weight of 265.24 g/mol. Its IUPAC name is 2-N-(2-ethoxypropyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-ethoxypropyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
PubChem CID112746508
Molecular FormulaC9H14F3N5O
Molecular Weight265.24 g/mol
Exact Mass265.12
IUPAC Name2-N-(2-ethoxypropyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESCCOC(C)CNc1nc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C9H14F3N5O/c1-3-18-5(2)4-14-8-16-6(9(10,11)12)15-7(13)17-8/h5H,3-4H2,1-2H3,(H3,13,14,15,16,17)
InChIKeyVWTCKYQWDSROGK-UHFFFAOYSA-N
XLogP1.31
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,5-Triazine-2-amine, N-methyl-4-(4-morpholinyl)-6-(trifluoromethyl)-
CID 3041953
1,3,5-Triazine-2-amine, N-(1-methylethyl)-4-(4-morpholinyl)-6-(trifluoromethyl)-
CID 3041962
N,4-diethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 123308053
N-ethyl-4-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 123689010
4-(1,1,2,2,3,3,3-Heptafluoropropyl)-6-morpholin-2-yl-1,3,5-triazin-2-amine
CID 174940193
(3-((4-Amino-6-methyl-1,3,5-triazin-2-yl)amino)-2-methoxypropyl)chloromercury
CID 11971882
4-N-methyl-6-propan-2-yloxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 80819388
6-methoxy-4-N-propyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 80819979
6-propan-2-yloxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 80845318
6-chloro-4-N-propyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 80845944
2-N-[2-(2,2-difluoroethoxy)ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 105922301
4-N-[2-(2,2-difluoroethoxy)ethyl]-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 105922314

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethoxypropyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-ethoxypropyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine (CID 112746508) is 2-N-(2-ethoxypropyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-ethoxypropyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-ethoxypropyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine is CCOC(C)CNc1nc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 2-N-(2-ethoxypropyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is VWTCKYQWDSROGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5O/c1-3-18-5(2)4-14-8-16-6(9(10,11)12)15-7(13)17-8/h5H,3-4H2,1-2H3,(H3,13,14,15,16,17).
What are the key properties of 2-N-(2-ethoxypropyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
2-N-(2-ethoxypropyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 265.24 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethoxypropyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 112746508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).