6-(3,5-ditert-butylphenyl)-1,3,5-triazine-2,4-diamine

C17H25N5 — CID 1240590

IUPAC6-(3,5-ditert-butylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)c1cc(-c2nc(N)nc(N)n2)cc(C(C)(C)C)c1
InChIInChI=1S/C17H25N5/c1-16(2,3)11-7-10(8-12(9-11)17(4,5)6)13-20-14(18)22-15(19)21-13/h7-9H,1-6H3,(H4,18,19,20,21,22)
InChIKeyBRXKDJXCTZWHHG-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.30
Rot. Bonds1

About 6-(3,5-ditert-butylphenyl)-1,3,5-triazine-2,4-diamine

6-(3,5-ditert-butylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 1240590) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 6-(3,5-ditert-butylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(3,5-ditert-butylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID1240590
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name6-(3,5-ditert-butylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)c1cc(-c2nc(N)nc(N)n2)cc(C(C)(C)C)c1
InChIInChI=1S/C17H25N5/c1-16(2,3)11-7-10(8-12(9-11)17(4,5)6)13-20-14(18)22-15(19)21-13/h7-9H,1-6H3,(H4,18,19,20,21,22)
InChIKeyBRXKDJXCTZWHHG-UHFFFAOYSA-N
XLogP3.30
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-ditert-butylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(3,5-ditert-butylphenyl)-1,3,5-triazine-2,4-diamine (CID 1240590) is 6-(3,5-ditert-butylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(3,5-ditert-butylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(3,5-ditert-butylphenyl)-1,3,5-triazine-2,4-diamine is CC(C)(C)c1cc(-c2nc(N)nc(N)n2)cc(C(C)(C)C)c1.
What is the InChIKey of 6-(3,5-ditert-butylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is BRXKDJXCTZWHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-16(2,3)11-7-10(8-12(9-11)17(4,5)6)13-20-14(18)22-15(19)21-13/h7-9H,1-6H3,(H4,18,19,20,21,22).
What are the key properties of 6-(3,5-ditert-butylphenyl)-1,3,5-triazine-2,4-diamine?
6-(3,5-ditert-butylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 299.42 g/mol, XLogP of 3.30, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-ditert-butylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 1240590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).