6-[4-(4-tert-butylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine

C19H21N5O — CID 127036395

IUPAC6-[4-(4-tert-butylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)c1ccc(Oc2ccc(-c3nc(N)nc(N)n3)cc2)cc1
InChIInChI=1S/C19H21N5O/c1-19(2,3)13-6-10-15(11-7-13)25-14-8-4-12(5-9-14)16-22-17(20)24-18(21)23-16/h4-11H,1-3H3,(H4,20,21,22,23,24)
InChIKeyJSDMLJZJEWMEOG-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.79
Rot. Bonds3

About 6-[4-(4-tert-butylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine

6-[4-(4-tert-butylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 127036395) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 6-[4-(4-tert-butylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[4-(4-tert-butylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID127036395
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name6-[4-(4-tert-butylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)c1ccc(Oc2ccc(-c3nc(N)nc(N)n3)cc2)cc1
InChIInChI=1S/C19H21N5O/c1-19(2,3)13-6-10-15(11-7-13)25-14-8-4-12(5-9-14)16-22-17(20)24-18(21)23-16/h4-11H,1-3H3,(H4,20,21,22,23,24)
InChIKeyJSDMLJZJEWMEOG-UHFFFAOYSA-N
XLogP3.79
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-tert-butylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[4-(4-tert-butylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine (CID 127036395) is 6-[4-(4-tert-butylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[4-(4-tert-butylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[4-(4-tert-butylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine is CC(C)(C)c1ccc(Oc2ccc(-c3nc(N)nc(N)n3)cc2)cc1.
What is the InChIKey of 6-[4-(4-tert-butylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is JSDMLJZJEWMEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-19(2,3)13-6-10-15(11-7-13)25-14-8-4-12(5-9-14)16-22-17(20)24-18(21)23-16/h4-11H,1-3H3,(H4,20,21,22,23,24).
What are the key properties of 6-[4-(4-tert-butylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine?
6-[4-(4-tert-butylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 335.41 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-tert-butylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 127036395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).