2-N-(2-methoxyethyl)-2-N,6-N-dimethyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4,6-triamine

C15H19F3N6O2 — CID 143789923

IUPAC2-N-(2-methoxyethyl)-2-N,6-N-dimethyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(Nc2ccc(OC(F)(F)F)cc2)nc(N(C)CCOC)n1
InChIInChI=1S/C15H19F3N6O2/c1-19-12-21-13(23-14(22-12)24(2)8-9-25-3)20-10-4-6-11(7-5-10)26-15(16,17)18/h4-7H,8-9H2,1-3H3,(H2,19,20,21,22,23)
InChIKeyWCQMTNZOCHAAIV-UHFFFAOYSA-N
MW372.35 g/mol
LogP2.64
Rot. Bonds8

About 2-N-(2-methoxyethyl)-2-N,6-N-dimethyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4,6-triamine

2-N-(2-methoxyethyl)-2-N,6-N-dimethyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 143789923) has the molecular formula C15H19F3N6O2 and a molecular weight of 372.35 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)-2-N,6-N-dimethyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)-2-N,6-N-dimethyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID143789923
Molecular FormulaC15H19F3N6O2
Molecular Weight372.35 g/mol
Exact Mass372.15
IUPAC Name2-N-(2-methoxyethyl)-2-N,6-N-dimethyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(Nc2ccc(OC(F)(F)F)cc2)nc(N(C)CCOC)n1
InChIInChI=1S/C15H19F3N6O2/c1-19-12-21-13(23-14(22-12)24(2)8-9-25-3)20-10-4-6-11(7-5-10)26-15(16,17)18/h4-7H,8-9H2,1-3H3,(H2,19,20,21,22,23)
InChIKeyWCQMTNZOCHAAIV-UHFFFAOYSA-N
XLogP2.64
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyethyl)-2-N,6-N-dimethyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(2-methoxyethyl)-2-N,6-N-dimethyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4,6-triamine (CID 143789923) is 2-N-(2-methoxyethyl)-2-N,6-N-dimethyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(2-methoxyethyl)-2-N,6-N-dimethyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(2-methoxyethyl)-2-N,6-N-dimethyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4,6-triamine is CNc1nc(Nc2ccc(OC(F)(F)F)cc2)nc(N(C)CCOC)n1.
What is the InChIKey of 2-N-(2-methoxyethyl)-2-N,6-N-dimethyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is WCQMTNZOCHAAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N6O2/c1-19-12-21-13(23-14(22-12)24(2)8-9-25-3)20-10-4-6-11(7-5-10)26-15(16,17)18/h4-7H,8-9H2,1-3H3,(H2,19,20,21,22,23).
What are the key properties of 2-N-(2-methoxyethyl)-2-N,6-N-dimethyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4,6-triamine?
2-N-(2-methoxyethyl)-2-N,6-N-dimethyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 372.35 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyethyl)-2-N,6-N-dimethyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 143789923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).