6-propan-2-yloxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine

C10H16F3N5O2 — CID 80845318

IUPAC6-propan-2-yloxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)Oc1nc(N)nc(NCCOCC(F)(F)F)n1
InChIInChI=1S/C10H16F3N5O2/c1-6(2)20-9-17-7(14)16-8(18-9)15-3-4-19-5-10(11,12)13/h6H,3-5H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyGTSIXDDDBIZMQQ-UHFFFAOYSA-N
MW295.27 g/mol
LogP1.23
Rot. Bonds7

About 6-propan-2-yloxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine

6-propan-2-yloxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 80845318) has the molecular formula C10H16F3N5O2 and a molecular weight of 295.27 g/mol. Its IUPAC name is 6-propan-2-yloxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-propan-2-yloxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID80845318
Molecular FormulaC10H16F3N5O2
Molecular Weight295.27 g/mol
Exact Mass295.13
IUPAC Name6-propan-2-yloxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)Oc1nc(N)nc(NCCOCC(F)(F)F)n1
InChIInChI=1S/C10H16F3N5O2/c1-6(2)20-9-17-7(14)16-8(18-9)15-3-4-19-5-10(11,12)13/h6H,3-5H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyGTSIXDDDBIZMQQ-UHFFFAOYSA-N
XLogP1.23
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-propan-2-yloxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine (CID 80845318) is 6-propan-2-yloxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-propan-2-yloxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-propan-2-yloxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine is CC(C)Oc1nc(N)nc(NCCOCC(F)(F)F)n1.
What is the InChIKey of 6-propan-2-yloxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is GTSIXDDDBIZMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5O2/c1-6(2)20-9-17-7(14)16-8(18-9)15-3-4-19-5-10(11,12)13/h6H,3-5H2,1-2H3,(H3,14,15,16,17,18).
What are the key properties of 6-propan-2-yloxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine?
6-propan-2-yloxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 295.27 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80845318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).