2,4-ditert-butyl-6-(4,6-diamino-1,3,5-triazin-2-yl)phenol

C17H25N5O — CID 135953403

IUPAC2,4-ditert-butyl-6-(4,6-diamino-1,3,5-triazin-2-yl)phenol
SMILESCC(C)(C)c1cc(-c2nc(N)nc(N)n2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C17H25N5O/c1-16(2,3)9-7-10(12(23)11(8-9)17(4,5)6)13-20-14(18)22-15(19)21-13/h7-8,23H,1-6H3,(H4,18,19,20,21,22)
InChIKeyWSCMWXKEFWLVPT-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.00
Rot. Bonds1

About 2,4-ditert-butyl-6-(4,6-diamino-1,3,5-triazin-2-yl)phenol

2,4-ditert-butyl-6-(4,6-diamino-1,3,5-triazin-2-yl)phenol (PubChem CID 135953403) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-(4,6-diamino-1,3,5-triazin-2-yl)phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-(4,6-diamino-1,3,5-triazin-2-yl)phenol
PubChem CID135953403
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name2,4-ditert-butyl-6-(4,6-diamino-1,3,5-triazin-2-yl)phenol
SMILESCC(C)(C)c1cc(-c2nc(N)nc(N)n2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C17H25N5O/c1-16(2,3)9-7-10(12(23)11(8-9)17(4,5)6)13-20-14(18)22-15(19)21-13/h7-8,23H,1-6H3,(H4,18,19,20,21,22)
InChIKeyWSCMWXKEFWLVPT-UHFFFAOYSA-N
XLogP3.00
TPSA110.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4,6-Diamino-1,3,5-triazin-2-yl)phenol
CID 97600
2-(4-Amino-6-phenyl-1,3,5-triazin-2-yl)phenol
CID 853426
2-(4,6-Diamino-1,3,5-Triazin-2-Yl)benzene-1,4-Diol
CID 135566556
2-(4,6-Diamino-1,3,5-Triazin-2-Yl)-4-Fluorophenol
CID 135566557
2-[4-Methyl-6-(methylamino)-1,3,5-triazin-2-yl]phenol
CID 950458
2-(4-Amino-6-methyl-1,3,5-triazin-2-yl)phenol
CID 705456
4-(5-Amino-[1,2,4]thiadiazol-3-yl)-2,6-di-tert-butyl-phenol
CID 135524515
3-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-[1,2,4]thiadiazol-5-yl-cyanamide
CID 135748955
2-[3-(3,5-Ditert-butyl-4-hydroxyphenyl)-1,2,4-thiadiazol-5-yl]guanidine;hydrochloride
CID 135852991
2-(4-Amino-6-propan-2-yl-1,3,5-triazin-2-yl)phenol
CID 136079175
1-[3-(3,5-Ditert-butyl-4-hydroxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylguanidine;hydrochloride
CID 136179538
2-{4-Amino-6-[2-(4-fluorophenyl)vinyl]-1,3,5-triazin-2-yl}phenol
CID 5294237

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-(4,6-diamino-1,3,5-triazin-2-yl)phenol?
The IUPAC name of 2,4-ditert-butyl-6-(4,6-diamino-1,3,5-triazin-2-yl)phenol (CID 135953403) is 2,4-ditert-butyl-6-(4,6-diamino-1,3,5-triazin-2-yl)phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-(4,6-diamino-1,3,5-triazin-2-yl)phenol?
The canonical SMILES for 2,4-ditert-butyl-6-(4,6-diamino-1,3,5-triazin-2-yl)phenol is CC(C)(C)c1cc(-c2nc(N)nc(N)n2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,4-ditert-butyl-6-(4,6-diamino-1,3,5-triazin-2-yl)phenol?
The InChIKey is WSCMWXKEFWLVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-16(2,3)9-7-10(12(23)11(8-9)17(4,5)6)13-20-14(18)22-15(19)21-13/h7-8,23H,1-6H3,(H4,18,19,20,21,22).
What are the key properties of 2,4-ditert-butyl-6-(4,6-diamino-1,3,5-triazin-2-yl)phenol?
2,4-ditert-butyl-6-(4,6-diamino-1,3,5-triazin-2-yl)phenol has a molecular weight of 315.42 g/mol, XLogP of 3.00, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-(4,6-diamino-1,3,5-triazin-2-yl)phenol is sourced from PubChem (CID 135953403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).