2-N-(4-ethylphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine

C12H12F3N5 — CID 6460066

IUPAC2-N-(4-ethylphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESCCc1ccc(Nc2nc(N)nc(C(F)(F)F)n2)cc1
InChIInChI=1S/C12H12F3N5/c1-2-7-3-5-8(6-4-7)17-11-19-9(12(13,14)15)18-10(16)20-11/h3-6H,2H2,1H3,(H3,16,17,18,19,20)
InChIKeyJBKXSJWRXNRALP-UHFFFAOYSA-N
MW283.26 g/mol
LogP2.78
Rot. Bonds3

About 2-N-(4-ethylphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine

2-N-(4-ethylphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 6460066) has the molecular formula C12H12F3N5 and a molecular weight of 283.26 g/mol. Its IUPAC name is 2-N-(4-ethylphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-ethylphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
PubChem CID6460066
Molecular FormulaC12H12F3N5
Molecular Weight283.26 g/mol
Exact Mass283.10
IUPAC Name2-N-(4-ethylphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESCCc1ccc(Nc2nc(N)nc(C(F)(F)F)n2)cc1
InChIInChI=1S/C12H12F3N5/c1-2-7-3-5-8(6-4-7)17-11-19-9(12(13,14)15)18-10(16)20-11/h3-6H,2H2,1H3,(H3,16,17,18,19,20)
InChIKeyJBKXSJWRXNRALP-UHFFFAOYSA-N
XLogP2.78
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-ethylphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-ethylphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine (CID 6460066) is 2-N-(4-ethylphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-ethylphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-ethylphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine is CCc1ccc(Nc2nc(N)nc(C(F)(F)F)n2)cc1.
What is the InChIKey of 2-N-(4-ethylphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is JBKXSJWRXNRALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5/c1-2-7-3-5-8(6-4-7)17-11-19-9(12(13,14)15)18-10(16)20-11/h3-6H,2H2,1H3,(H3,16,17,18,19,20).
What are the key properties of 2-N-(4-ethylphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
2-N-(4-ethylphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 283.26 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-ethylphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 6460066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).