4-[[2-(2-hydroxy-2-methylpropoxy)-6-morpholin-4-ylpyrimidin-4-yl]methyldiazenyl]phenol

C19H25N5O4 — CID 136653588

IUPAC4-[[2-(2-hydroxy-2-methylpropoxy)-6-morpholin-4-ylpyrimidin-4-yl]methyldiazenyl]phenol
SMILESCC(C)(O)COc1nc(C/N=N/c2ccc(O)cc2)cc(N2CCOCC2)n1
InChIInChI=1S/C19H25N5O4/c1-19(2,26)13-28-18-21-15(11-17(22-18)24-7-9-27-10-8-24)12-20-23-14-3-5-16(25)6-4-14/h3-6,11,25-26H,7-10,12-13H2,1-2H3/b23-20+
InChIKeyNSCTXRXHSQRHSJ-BSYVCWPDSA-N
MW387.44 g/mol
LogP2.45
Rot. Bonds7

About 4-[[2-(2-hydroxy-2-methylpropoxy)-6-morpholin-4-ylpyrimidin-4-yl]methyldiazenyl]phenol

4-[[2-(2-hydroxy-2-methylpropoxy)-6-morpholin-4-ylpyrimidin-4-yl]methyldiazenyl]phenol (PubChem CID 136653588) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-[[2-(2-hydroxy-2-methylpropoxy)-6-morpholin-4-ylpyrimidin-4-yl]methyldiazenyl]phenol.

Molecular Properties

Compound Name4-[[2-(2-hydroxy-2-methylpropoxy)-6-morpholin-4-ylpyrimidin-4-yl]methyldiazenyl]phenol
PubChem CID136653588
Molecular FormulaC19H25N5O4
Molecular Weight387.44 g/mol
Exact Mass387.19
IUPAC Name4-[[2-(2-hydroxy-2-methylpropoxy)-6-morpholin-4-ylpyrimidin-4-yl]methyldiazenyl]phenol
SMILESCC(C)(O)COc1nc(C/N=N/c2ccc(O)cc2)cc(N2CCOCC2)n1
InChIInChI=1S/C19H25N5O4/c1-19(2,26)13-28-18-21-15(11-17(22-18)24-7-9-27-10-8-24)12-20-23-14-3-5-16(25)6-4-14/h3-6,11,25-26H,7-10,12-13H2,1-2H3/b23-20+
InChIKeyNSCTXRXHSQRHSJ-BSYVCWPDSA-N
XLogP2.45
TPSA112.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

(3,4-dimethylphenyl)-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methyl]diazene
CID 91029551
4-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]methyldiazenyl]phenol
CID 136653620
1H-indol-3-yl-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methyl]diazene
CID 136660451
1-[[4-[[(5-ethylthiophen-2-yl)diazenyl]methyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-2-methylpropan-2-ol
CID 91535323
3-[(2E)-2-[[2-(2-hydroxy-2-methylpropoxy)-6-morpholin-4-ylpyrimidin-4-yl]methylidene]hydrazinyl]benzamide
CID 11395875
1-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methylimino]-2,3-dihydroinden-4-ol
CID 58234827
[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methanamine
CID 58531807
3-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-yl-2-pyridinyl]propan-1-ol
CID 91061886
6-methyl-N-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methyl]chromen-4-imine
CID 58234816
2-methoxy-6-[[(6-morpholin-4-ylpyrimidin-4-yl)diazenyl]methyl]phenol
CID 91897136
2-butoxy-N-[(3,4-dichlorophenyl)methyl]-6-morpholin-4-ylpyrimidin-4-amine
CID 68856599
5-methyl-3-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methylimino]-1H-inden-2-one
CID 58531811

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-hydroxy-2-methylpropoxy)-6-morpholin-4-ylpyrimidin-4-yl]methyldiazenyl]phenol?
The IUPAC name of 4-[[2-(2-hydroxy-2-methylpropoxy)-6-morpholin-4-ylpyrimidin-4-yl]methyldiazenyl]phenol (CID 136653588) is 4-[[2-(2-hydroxy-2-methylpropoxy)-6-morpholin-4-ylpyrimidin-4-yl]methyldiazenyl]phenol.
What is the SMILES notation for 4-[[2-(2-hydroxy-2-methylpropoxy)-6-morpholin-4-ylpyrimidin-4-yl]methyldiazenyl]phenol?
The canonical SMILES for 4-[[2-(2-hydroxy-2-methylpropoxy)-6-morpholin-4-ylpyrimidin-4-yl]methyldiazenyl]phenol is CC(C)(O)COc1nc(C/N=N/c2ccc(O)cc2)cc(N2CCOCC2)n1.
What is the InChIKey of 4-[[2-(2-hydroxy-2-methylpropoxy)-6-morpholin-4-ylpyrimidin-4-yl]methyldiazenyl]phenol?
The InChIKey is NSCTXRXHSQRHSJ-BSYVCWPDSA-N. The full InChI is InChI=1S/C19H25N5O4/c1-19(2,26)13-28-18-21-15(11-17(22-18)24-7-9-27-10-8-24)12-20-23-14-3-5-16(25)6-4-14/h3-6,11,25-26H,7-10,12-13H2,1-2H3/b23-20+.
What are the key properties of 4-[[2-(2-hydroxy-2-methylpropoxy)-6-morpholin-4-ylpyrimidin-4-yl]methyldiazenyl]phenol?
4-[[2-(2-hydroxy-2-methylpropoxy)-6-morpholin-4-ylpyrimidin-4-yl]methyldiazenyl]phenol has a molecular weight of 387.44 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-hydroxy-2-methylpropoxy)-6-morpholin-4-ylpyrimidin-4-yl]methyldiazenyl]phenol is sourced from PubChem (CID 136653588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).