2-N,4-N-diethyl-2-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine

C16H19F4N5O — CID 129285934

IUPAC2-N,4-N-diethyl-2-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(OCC(F)(F)C(F)F)nc(N(CC)c2ccccc2)n1
InChIInChI=1S/C16H19F4N5O/c1-3-21-13-22-14(25(4-2)11-8-6-5-7-9-11)24-15(23-13)26-10-16(19,20)12(17)18/h5-9,12H,3-4,10H2,1-2H3,(H,21,22,23,24)
InChIKeyCGUPSMZUHINGQN-UHFFFAOYSA-N
MW373.35 g/mol
LogP3.74
Rot. Bonds9

About 2-N,4-N-diethyl-2-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine

2-N,4-N-diethyl-2-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 129285934) has the molecular formula C16H19F4N5O and a molecular weight of 373.35 g/mol. Its IUPAC name is 2-N,4-N-diethyl-2-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-diethyl-2-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine
PubChem CID129285934
Molecular FormulaC16H19F4N5O
Molecular Weight373.35 g/mol
Exact Mass373.15
IUPAC Name2-N,4-N-diethyl-2-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(OCC(F)(F)C(F)F)nc(N(CC)c2ccccc2)n1
InChIInChI=1S/C16H19F4N5O/c1-3-21-13-22-14(25(4-2)11-8-6-5-7-9-11)24-15(23-13)26-10-16(19,20)12(17)18/h5-9,12H,3-4,10H2,1-2H3,(H,21,22,23,24)
InChIKeyCGUPSMZUHINGQN-UHFFFAOYSA-N
XLogP3.74
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-N,4-N-diethyl-2-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

6-ethoxy-4-N-ethyl-2-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 80767664
6-(2,2-difluoroethoxy)-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
CID 82009098
6-ethoxy-2-N-ethyl-2-N-(4-fluorophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80798516
6-ethoxy-4-N-ethyl-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine
CID 106296113
6-ethoxy-2-N-ethyl-2-N-(3-fluorophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80792211
2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine
CID 157249601
6-chloro-2-N,4-N-diethyl-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80817982
2-N-ethyl-6-hydrazinyl-4-N,4-N-dimethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 80918358
4-N-methyl-2-N-phenyl-6-(2,3,3-trifluoro-2-methylpropoxy)-1,3,5-triazine-2,4-diamine
CID 170394525
2-N,4-N-diethyl-2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80835269
N,N-diethyl-4-hydrazinyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 80910058
6-[2-(dimethylamino)ethoxy]-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
CID 80871971

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-diethyl-2-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-diethyl-2-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine (CID 129285934) is 2-N,4-N-diethyl-2-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-diethyl-2-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-diethyl-2-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine is CCNc1nc(OCC(F)(F)C(F)F)nc(N(CC)c2ccccc2)n1.
What is the InChIKey of 2-N,4-N-diethyl-2-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is CGUPSMZUHINGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F4N5O/c1-3-21-13-22-14(25(4-2)11-8-6-5-7-9-11)24-15(23-13)26-10-16(19,20)12(17)18/h5-9,12H,3-4,10H2,1-2H3,(H,21,22,23,24).
What are the key properties of 2-N,4-N-diethyl-2-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine?
2-N,4-N-diethyl-2-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 373.35 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-diethyl-2-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 129285934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).