2-N-[4-(morpholin-4-ylmethyl)phenyl]-6-(2,4,6-trimethylphenoxy)-1,3,5-triazine-2,4-diamine

C23H28N6O2 — CID 146000668

IUPAC2-N-[4-(morpholin-4-ylmethyl)phenyl]-6-(2,4,6-trimethylphenoxy)-1,3,5-triazine-2,4-diamine
SMILESCc1cc(C)c(Oc2nc(N)nc(Nc3ccc(CN4CCOCC4)cc3)n2)c(C)c1
InChIInChI=1S/C23H28N6O2/c1-15-12-16(2)20(17(3)13-15)31-23-27-21(24)26-22(28-23)25-19-6-4-18(5-7-19)14-29-8-10-30-11-9-29/h4-7,12-13H,8-11,14H2,1-3H3,(H3,24,25,26,27,28)
InChIKeyMKJZPAWAFOTFQE-UHFFFAOYSA-N
MW420.52 g/mol
LogP3.75
Rot. Bonds6

About 2-N-[4-(morpholin-4-ylmethyl)phenyl]-6-(2,4,6-trimethylphenoxy)-1,3,5-triazine-2,4-diamine

2-N-[4-(morpholin-4-ylmethyl)phenyl]-6-(2,4,6-trimethylphenoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 146000668) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 2-N-[4-(morpholin-4-ylmethyl)phenyl]-6-(2,4,6-trimethylphenoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-(morpholin-4-ylmethyl)phenyl]-6-(2,4,6-trimethylphenoxy)-1,3,5-triazine-2,4-diamine
PubChem CID146000668
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name2-N-[4-(morpholin-4-ylmethyl)phenyl]-6-(2,4,6-trimethylphenoxy)-1,3,5-triazine-2,4-diamine
SMILESCc1cc(C)c(Oc2nc(N)nc(Nc3ccc(CN4CCOCC4)cc3)n2)c(C)c1
InChIInChI=1S/C23H28N6O2/c1-15-12-16(2)20(17(3)13-15)31-23-27-21(24)26-22(28-23)25-19-6-4-18(5-7-19)14-29-8-10-30-11-9-29/h4-7,12-13H,8-11,14H2,1-3H3,(H3,24,25,26,27,28)
InChIKeyMKJZPAWAFOTFQE-UHFFFAOYSA-N
XLogP3.75
TPSA98.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(morpholin-4-ylmethyl)phenyl]-6-(2,4,6-trimethylphenoxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[4-(morpholin-4-ylmethyl)phenyl]-6-(2,4,6-trimethylphenoxy)-1,3,5-triazine-2,4-diamine (CID 146000668) is 2-N-[4-(morpholin-4-ylmethyl)phenyl]-6-(2,4,6-trimethylphenoxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[4-(morpholin-4-ylmethyl)phenyl]-6-(2,4,6-trimethylphenoxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[4-(morpholin-4-ylmethyl)phenyl]-6-(2,4,6-trimethylphenoxy)-1,3,5-triazine-2,4-diamine is Cc1cc(C)c(Oc2nc(N)nc(Nc3ccc(CN4CCOCC4)cc3)n2)c(C)c1.
What is the InChIKey of 2-N-[4-(morpholin-4-ylmethyl)phenyl]-6-(2,4,6-trimethylphenoxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is MKJZPAWAFOTFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-15-12-16(2)20(17(3)13-15)31-23-27-21(24)26-22(28-23)25-19-6-4-18(5-7-19)14-29-8-10-30-11-9-29/h4-7,12-13H,8-11,14H2,1-3H3,(H3,24,25,26,27,28).
What are the key properties of 2-N-[4-(morpholin-4-ylmethyl)phenyl]-6-(2,4,6-trimethylphenoxy)-1,3,5-triazine-2,4-diamine?
2-N-[4-(morpholin-4-ylmethyl)phenyl]-6-(2,4,6-trimethylphenoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 420.52 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(morpholin-4-ylmethyl)phenyl]-6-(2,4,6-trimethylphenoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 146000668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).