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

C11H17F3N4O2 — CID 82793809

IUPACN-methyl-4-propan-2-yloxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine
SMILESCNc1nc(OCCCC(F)(F)F)nc(OC(C)C)n1
InChIInChI=1S/C11H17F3N4O2/c1-7(2)20-10-17-8(15-3)16-9(18-10)19-6-4-5-11(12,13)14/h7H,4-6H2,1-3H3,(H,15,16,17,18)
InChIKeyRNKDMAPMRFKJNJ-UHFFFAOYSA-N
MW294.28 g/mol
LogP2.42
Rot. Bonds7

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

N-methyl-4-propan-2-yloxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine (PubChem CID 82793809) has the molecular formula C11H17F3N4O2 and a molecular weight of 294.28 g/mol. Its IUPAC name is N-methyl-4-propan-2-yloxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-propan-2-yloxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine
PubChem CID82793809
Molecular FormulaC11H17F3N4O2
Molecular Weight294.28 g/mol
Exact Mass294.13
IUPAC NameN-methyl-4-propan-2-yloxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine
SMILESCNc1nc(OCCCC(F)(F)F)nc(OC(C)C)n1
InChIInChI=1S/C11H17F3N4O2/c1-7(2)20-10-17-8(15-3)16-9(18-10)19-6-4-5-11(12,13)14/h7H,4-6H2,1-3H3,(H,15,16,17,18)
InChIKeyRNKDMAPMRFKJNJ-UHFFFAOYSA-N
XLogP2.42
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N-methyl-4-propan-2-yloxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-propan-2-yloxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine (CID 82793809) is N-methyl-4-propan-2-yloxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-propan-2-yloxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-propan-2-yloxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine is CNc1nc(OCCCC(F)(F)F)nc(OC(C)C)n1.
What is the InChIKey of N-methyl-4-propan-2-yloxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine?
The InChIKey is RNKDMAPMRFKJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O2/c1-7(2)20-10-17-8(15-3)16-9(18-10)19-6-4-5-11(12,13)14/h7H,4-6H2,1-3H3,(H,15,16,17,18).
What are the key properties of N-methyl-4-propan-2-yloxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine?
N-methyl-4-propan-2-yloxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine has a molecular weight of 294.28 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-propan-2-yloxy-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 82793809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).