4-(1-ethoxy-2,2-dimethylpropyl)-6-phenyl-1,3,5-triazin-2-amine

C16H22N4O — CID 116734103

IUPAC4-(1-ethoxy-2,2-dimethylpropyl)-6-phenyl-1,3,5-triazin-2-amine
SMILESCCOC(c1nc(N)nc(-c2ccccc2)n1)C(C)(C)C
InChIInChI=1S/C16H22N4O/c1-5-21-12(16(2,3)4)14-18-13(19-15(17)20-14)11-9-7-6-8-10-11/h6-10,12H,5H2,1-4H3,(H2,17,18,19,20)
InChIKeyLTUWTNYIEGJZHU-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.24
Rot. Bonds4

About 4-(1-ethoxy-2,2-dimethylpropyl)-6-phenyl-1,3,5-triazin-2-amine

4-(1-ethoxy-2,2-dimethylpropyl)-6-phenyl-1,3,5-triazin-2-amine (PubChem CID 116734103) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-(1-ethoxy-2,2-dimethylpropyl)-6-phenyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1-ethoxy-2,2-dimethylpropyl)-6-phenyl-1,3,5-triazin-2-amine
PubChem CID116734103
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-(1-ethoxy-2,2-dimethylpropyl)-6-phenyl-1,3,5-triazin-2-amine
SMILESCCOC(c1nc(N)nc(-c2ccccc2)n1)C(C)(C)C
InChIInChI=1S/C16H22N4O/c1-5-21-12(16(2,3)4)14-18-13(19-15(17)20-14)11-9-7-6-8-10-11/h6-10,12H,5H2,1-4H3,(H2,17,18,19,20)
InChIKeyLTUWTNYIEGJZHU-UHFFFAOYSA-N
XLogP3.24
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxy-2,2-dimethylpropyl)-6-phenyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1-ethoxy-2,2-dimethylpropyl)-6-phenyl-1,3,5-triazin-2-amine (CID 116734103) is 4-(1-ethoxy-2,2-dimethylpropyl)-6-phenyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1-ethoxy-2,2-dimethylpropyl)-6-phenyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1-ethoxy-2,2-dimethylpropyl)-6-phenyl-1,3,5-triazin-2-amine is CCOC(c1nc(N)nc(-c2ccccc2)n1)C(C)(C)C.
What is the InChIKey of 4-(1-ethoxy-2,2-dimethylpropyl)-6-phenyl-1,3,5-triazin-2-amine?
The InChIKey is LTUWTNYIEGJZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-5-21-12(16(2,3)4)14-18-13(19-15(17)20-14)11-9-7-6-8-10-11/h6-10,12H,5H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 4-(1-ethoxy-2,2-dimethylpropyl)-6-phenyl-1,3,5-triazin-2-amine?
4-(1-ethoxy-2,2-dimethylpropyl)-6-phenyl-1,3,5-triazin-2-amine has a molecular weight of 286.38 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxy-2,2-dimethylpropyl)-6-phenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 116734103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).