2-methoxy-6-[[(6-morpholin-4-ylpyrimidin-4-yl)diazenyl]methyl]phenol

C16H19N5O3 — CID 91897136

IUPAC2-methoxy-6-[[(6-morpholin-4-ylpyrimidin-4-yl)diazenyl]methyl]phenol
SMILESCOc1cccc(C/N=N/c2cc(N3CCOCC3)ncn2)c1O
InChIInChI=1S/C16H19N5O3/c1-23-13-4-2-3-12(16(13)22)10-19-20-14-9-15(18-11-17-14)21-5-7-24-8-6-21/h2-4,9,11,22H,5-8,10H2,1H3/b20-19+
InChIKeyAFYDCRJYIRNQJL-FMQUCBEESA-N
MW329.36 g/mol
LogP2.31
Rot. Bonds5

About 2-methoxy-6-[[(6-morpholin-4-ylpyrimidin-4-yl)diazenyl]methyl]phenol

2-methoxy-6-[[(6-morpholin-4-ylpyrimidin-4-yl)diazenyl]methyl]phenol (PubChem CID 91897136) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-methoxy-6-[[(6-morpholin-4-ylpyrimidin-4-yl)diazenyl]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[[(6-morpholin-4-ylpyrimidin-4-yl)diazenyl]methyl]phenol
PubChem CID91897136
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name2-methoxy-6-[[(6-morpholin-4-ylpyrimidin-4-yl)diazenyl]methyl]phenol
SMILESCOc1cccc(C/N=N/c2cc(N3CCOCC3)ncn2)c1O
InChIInChI=1S/C16H19N5O3/c1-23-13-4-2-3-12(16(13)22)10-19-20-14-9-15(18-11-17-14)21-5-7-24-8-6-21/h2-4,9,11,22H,5-8,10H2,1H3/b20-19+
InChIKeyAFYDCRJYIRNQJL-FMQUCBEESA-N
XLogP2.31
TPSA92.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-6-[[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 2842064
2-methoxy-6-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]phenol
CID 133448199
2-[[(6-chloro-2-methylpyrimidin-4-yl)diazenyl]methyl]-6-methoxyphenol
CID 91897797
[4-[2-(2,3-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene
CID 91396544
2-methoxy-6-[[(5-nitro-2-pyridinyl)diazenyl]methyl]phenol
CID 91897591
N-(2-methoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112857120
2-[(3,3-dimethylmorpholin-4-yl)methyl]-6-methoxyphenol
CID 82986122
[2-[2-(2,3-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-4-pyridinyl]-[(3-methylphenyl)methyl]diazene
CID 91383917
4-[4-(2-methoxyphenyl)-2-pyridinyl]morpholine
CID 134375667
2-(2-chlorophenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)propanamide
CID 90544210
2-methoxy-6-[[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 3091862
2-methoxy-6-[(oxan-4-ylmethylamino)methyl]phenol
CID 55210136

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[[(6-morpholin-4-ylpyrimidin-4-yl)diazenyl]methyl]phenol?
The IUPAC name of 2-methoxy-6-[[(6-morpholin-4-ylpyrimidin-4-yl)diazenyl]methyl]phenol (CID 91897136) is 2-methoxy-6-[[(6-morpholin-4-ylpyrimidin-4-yl)diazenyl]methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[[(6-morpholin-4-ylpyrimidin-4-yl)diazenyl]methyl]phenol?
The canonical SMILES for 2-methoxy-6-[[(6-morpholin-4-ylpyrimidin-4-yl)diazenyl]methyl]phenol is COc1cccc(C/N=N/c2cc(N3CCOCC3)ncn2)c1O.
What is the InChIKey of 2-methoxy-6-[[(6-morpholin-4-ylpyrimidin-4-yl)diazenyl]methyl]phenol?
The InChIKey is AFYDCRJYIRNQJL-FMQUCBEESA-N. The full InChI is InChI=1S/C16H19N5O3/c1-23-13-4-2-3-12(16(13)22)10-19-20-14-9-15(18-11-17-14)21-5-7-24-8-6-21/h2-4,9,11,22H,5-8,10H2,1H3/b20-19+.
What are the key properties of 2-methoxy-6-[[(6-morpholin-4-ylpyrimidin-4-yl)diazenyl]methyl]phenol?
2-methoxy-6-[[(6-morpholin-4-ylpyrimidin-4-yl)diazenyl]methyl]phenol has a molecular weight of 329.36 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[[(6-morpholin-4-ylpyrimidin-4-yl)diazenyl]methyl]phenol is sourced from PubChem (CID 91897136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).