6-N-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4,6-triamine

C10H16F3N5O — CID 80845407

IUPAC6-N-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4,6-triamine
SMILESCCNc1cc(NCCOCC(F)(F)F)nc(N)n1
InChIInChI=1S/C10H16F3N5O/c1-2-15-7-5-8(18-9(14)17-7)16-3-4-19-6-10(11,12)13/h5H,2-4,6H2,1H3,(H4,14,15,16,17,18)
InChIKeyJXXXOZYGTABMBD-UHFFFAOYSA-N
MW279.27 g/mol
LogP1.48
Rot. Bonds7

About 6-N-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4,6-triamine

6-N-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4,6-triamine (PubChem CID 80845407) has the molecular formula C10H16F3N5O and a molecular weight of 279.27 g/mol. Its IUPAC name is 6-N-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4,6-triamine
PubChem CID80845407
Molecular FormulaC10H16F3N5O
Molecular Weight279.27 g/mol
Exact Mass279.13
IUPAC Name6-N-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4,6-triamine
SMILESCCNc1cc(NCCOCC(F)(F)F)nc(N)n1
InChIInChI=1S/C10H16F3N5O/c1-2-15-7-5-8(18-9(14)17-7)16-3-4-19-6-10(11,12)13/h5H,2-4,6H2,1H3,(H4,14,15,16,17,18)
InChIKeyJXXXOZYGTABMBD-UHFFFAOYSA-N
XLogP1.48
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 51.48
H-Bond Donors ≤ 53
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 6-N-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4,6-triamine (CID 80845407) is 6-N-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4,6-triamine is CCNc1cc(NCCOCC(F)(F)F)nc(N)n1.
What is the InChIKey of 6-N-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4,6-triamine?
The InChIKey is JXXXOZYGTABMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5O/c1-2-15-7-5-8(18-9(14)17-7)16-3-4-19-6-10(11,12)13/h5H,2-4,6H2,1H3,(H4,14,15,16,17,18).
What are the key properties of 6-N-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4,6-triamine?
6-N-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4,6-triamine has a molecular weight of 279.27 g/mol, XLogP of 1.48, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80845407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).