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

C17H21N5O3 — CID 3091862

IUPAC2-methoxy-6-[[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESCOc1cccc(C=NNc2cc(N3CCOCC3)nc(C)n2)c1O
InChIInChI=1S/C17H21N5O3/c1-12-19-15(10-16(20-12)22-6-8-25-9-7-22)21-18-11-13-4-3-5-14(24-2)17(13)23/h3-5,10-11,23H,6-9H2,1-2H3,(H,19,20,21)
InChIKeyVYWLSQZZPXSDBM-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.78
Rot. Bonds5

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

2-methoxy-6-[[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol (PubChem CID 3091862) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-methoxy-6-[[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
PubChem CID3091862
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name2-methoxy-6-[[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESCOc1cccc(C=NNc2cc(N3CCOCC3)nc(C)n2)c1O
InChIInChI=1S/C17H21N5O3/c1-12-19-15(10-16(20-12)22-6-8-25-9-7-22)21-18-11-13-4-3-5-14(24-2)17(13)23/h3-5,10-11,23H,6-9H2,1-2H3,(H,19,20,21)
InChIKeyVYWLSQZZPXSDBM-UHFFFAOYSA-N
XLogP1.78
TPSA92.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-6-[[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 2842064
4-[(E)-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135443121
2-methyl-6-morpholin-4-yl-N-[(2-nitrophenyl)methylideneamino]pyrimidin-4-amine
CID 3091858
N-[(Z)-(2-methoxyphenyl)methylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 6279740
N-[[2-[2-(2-methylphenoxy)ethoxy]phenyl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
CID 3504082
2-[(Z)-[[4-(3-bromoanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-6-methoxyphenol
CID 135887742
N-(2-methoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 112869929
N-[[2-[2-(3-methylphenoxy)ethoxy]phenyl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
CID 4273453
2-methoxy-6-[[[4-morpholin-4-yl-6-(naphthalen-1-ylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 3314272
2-methoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 785168
2-methoxy-6-[[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 3099366
methyl 3-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]benzoate
CID 112869947

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-methoxy-6-[[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol (CID 3091862) is 2-methoxy-6-[[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-methoxy-6-[[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol is COc1cccc(C=NNc2cc(N3CCOCC3)nc(C)n2)c1O.
What is the InChIKey of 2-methoxy-6-[[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The InChIKey is VYWLSQZZPXSDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-12-19-15(10-16(20-12)22-6-8-25-9-7-22)21-18-11-13-4-3-5-14(24-2)17(13)23/h3-5,10-11,23H,6-9H2,1-2H3,(H,19,20,21).
What are the key properties of 2-methoxy-6-[[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol?
2-methoxy-6-[[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol has a molecular weight of 343.39 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 3091862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).