4-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]methyldiazenyl]phenol

C21H28N6O4 — CID 136653620

IUPAC4-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]methyldiazenyl]phenol
SMILESOc1ccc(/N=N/Cc2nc(OCCN3CCOCC3)cc(N3CCOCC3)n2)cc1
InChIInChI=1S/C21H28N6O4/c28-18-3-1-17(2-4-18)25-22-16-19-23-20(27-8-12-30-13-9-27)15-21(24-19)31-14-7-26-5-10-29-11-6-26/h1-4,15,28H,5-14,16H2/b25-22+
InChIKeyNOJUHELRQDDUKH-YYDJUVGSSA-N
MW428.49 g/mol
LogP2.01
Rot. Bonds8

About 4-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]methyldiazenyl]phenol

4-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]methyldiazenyl]phenol (PubChem CID 136653620) has the molecular formula C21H28N6O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is 4-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]methyldiazenyl]phenol.

Molecular Properties

Compound Name4-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]methyldiazenyl]phenol
PubChem CID136653620
Molecular FormulaC21H28N6O4
Molecular Weight428.49 g/mol
Exact Mass428.22
IUPAC Name4-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]methyldiazenyl]phenol
SMILESOc1ccc(/N=N/Cc2nc(OCCN3CCOCC3)cc(N3CCOCC3)n2)cc1
InChIInChI=1S/C21H28N6O4/c28-18-3-1-17(2-4-18)25-22-16-19-23-20(27-8-12-30-13-9-27)15-21(24-19)31-14-7-26-5-10-29-11-6-26/h1-4,15,28H,5-14,16H2/b25-22+
InChIKeyNOJUHELRQDDUKH-YYDJUVGSSA-N
XLogP2.01
TPSA104.90 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(2-hydroxy-2-methylpropoxy)-6-morpholin-4-ylpyrimidin-4-yl]methyldiazenyl]phenol
CID 136653588
(3,4-dimethylphenyl)-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methyl]diazene
CID 91029551
furan-3-ylmethyl-[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazene
CID 90828738
(3,4-dimethylphenyl)methyl-[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazene
CID 90855310
[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methanamine
CID 58531807
4-[6-(2-morpholin-4-ylethoxy)imidazo[1,2-b]pyridazin-3-yl]phenol
CID 176715164
(3E)-3-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-1-benzofuran-6-ol
CID 135401554
(4,5-dimethylfuran-2-yl)-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]diazene
CID 91613854
1-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methylimino]-2,3-dihydroinden-4-ol
CID 58234827
N-methyl-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 143049464
5-ethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]methylideneamino]thiophen-2-amine
CID 66648274
propan-2-yl 3-[[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazenyl]methyl]benzoate
CID 91167856

Frequently Asked Questions

What is the IUPAC name of 4-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]methyldiazenyl]phenol?
The IUPAC name of 4-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]methyldiazenyl]phenol (CID 136653620) is 4-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]methyldiazenyl]phenol.
What is the SMILES notation for 4-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]methyldiazenyl]phenol?
The canonical SMILES for 4-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]methyldiazenyl]phenol is Oc1ccc(/N=N/Cc2nc(OCCN3CCOCC3)cc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]methyldiazenyl]phenol?
The InChIKey is NOJUHELRQDDUKH-YYDJUVGSSA-N. The full InChI is InChI=1S/C21H28N6O4/c28-18-3-1-17(2-4-18)25-22-16-19-23-20(27-8-12-30-13-9-27)15-21(24-19)31-14-7-26-5-10-29-11-6-26/h1-4,15,28H,5-14,16H2/b25-22+.
What are the key properties of 4-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]methyldiazenyl]phenol?
4-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]methyldiazenyl]phenol has a molecular weight of 428.49 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]methyldiazenyl]phenol is sourced from PubChem (CID 136653620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).