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

C10H15ClF3N5O — CID 80845944

IUPAC6-chloro-4-N-propyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(NCCOCC(F)(F)F)n1
InChIInChI=1S/C10H15ClF3N5O/c1-2-3-15-8-17-7(11)18-9(19-8)16-4-5-20-6-10(12,13)14/h2-6H2,1H3,(H2,15,16,17,18,19)
InChIKeyCSWQZNCAZOXIBM-UHFFFAOYSA-N
MW313.71 g/mol
LogP2.34
Rot. Bonds8

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

6-chloro-4-N-propyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 80845944) has the molecular formula C10H15ClF3N5O and a molecular weight of 313.71 g/mol. Its IUPAC name is 6-chloro-4-N-propyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-propyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID80845944
Molecular FormulaC10H15ClF3N5O
Molecular Weight313.71 g/mol
Exact Mass313.09
IUPAC Name6-chloro-4-N-propyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(NCCOCC(F)(F)F)n1
InChIInChI=1S/C10H15ClF3N5O/c1-2-3-15-8-17-7(11)18-9(19-8)16-4-5-20-6-10(12,13)14/h2-6H2,1H3,(H2,15,16,17,18,19)
InChIKeyCSWQZNCAZOXIBM-UHFFFAOYSA-N
XLogP2.34
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.71
LogP ≤ 52.34
H-Bond Donors ≤ 52
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-chloro-4-N-propyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-propyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine (CID 80845944) is 6-chloro-4-N-propyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-propyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-propyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine is CCCNc1nc(Cl)nc(NCCOCC(F)(F)F)n1.
What is the InChIKey of 6-chloro-4-N-propyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is CSWQZNCAZOXIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClF3N5O/c1-2-3-15-8-17-7(11)18-9(19-8)16-4-5-20-6-10(12,13)14/h2-6H2,1H3,(H2,15,16,17,18,19).
What are the key properties of 6-chloro-4-N-propyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-propyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 313.71 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-propyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80845944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).