4-propan-2-yloxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine

C10H15F3N4O2 — CID 82795407

IUPAC4-propan-2-yloxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(N)nc(OCCCC(F)(F)F)n1
InChIInChI=1S/C10H15F3N4O2/c1-6(2)19-9-16-7(14)15-8(17-9)18-5-3-4-10(11,12)13/h6H,3-5H2,1-2H3,(H2,14,15,16,17)
InChIKeyDJKIAWOLYXJYQC-UHFFFAOYSA-N
MW280.25 g/mol
LogP1.96
Rot. Bonds6

About 4-propan-2-yloxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine

4-propan-2-yloxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine (PubChem CID 82795407) has the molecular formula C10H15F3N4O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is 4-propan-2-yloxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-propan-2-yloxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine
PubChem CID82795407
Molecular FormulaC10H15F3N4O2
Molecular Weight280.25 g/mol
Exact Mass280.11
IUPAC Name4-propan-2-yloxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(N)nc(OCCCC(F)(F)F)n1
InChIInChI=1S/C10H15F3N4O2/c1-6(2)19-9-16-7(14)15-8(17-9)18-5-3-4-10(11,12)13/h6H,3-5H2,1-2H3,(H2,14,15,16,17)
InChIKeyDJKIAWOLYXJYQC-UHFFFAOYSA-N
XLogP1.96
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-propan-2-yloxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-pent-4-enoxy-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80877210
4-(3-methoxy-3-methylbutoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106669229
4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 112590935
2-N,2-N-diethyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine
CID 82795125
4-but-3-enoxy-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80861844
4-ethoxy-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
CID 80877469
[4-methoxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-yl]hydrazine
CID 82794676
2-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 116798000
[4-(3,3-dimethylbutoxy)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
CID 80923879
6-propan-2-yloxy-2-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 106433948
2-chloro-4-octoxy-6-propan-2-yloxy-1,3,5-triazine
CID 63505127
4-(4,4,4-trifluorobutoxy)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566585

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-propan-2-yloxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine (CID 82795407) is 4-propan-2-yloxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-propan-2-yloxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-propan-2-yloxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine is CC(C)Oc1nc(N)nc(OCCCC(F)(F)F)n1.
What is the InChIKey of 4-propan-2-yloxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine?
The InChIKey is DJKIAWOLYXJYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O2/c1-6(2)19-9-16-7(14)15-8(17-9)18-5-3-4-10(11,12)13/h6H,3-5H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-propan-2-yloxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine?
4-propan-2-yloxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine has a molecular weight of 280.25 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 82795407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).