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

C16H19N5O3 — CID 2842064

IUPAC2-methoxy-6-[[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESCOc1cccc(C=NNc2cc(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,5-8H2,1H3,(H,17,18,20)
InChIKeyMMOIGPFXJOLRFW-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.47
Rot. Bonds5

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

2-methoxy-6-[[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol (PubChem CID 2842064) 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)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
PubChem CID2842064
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name2-methoxy-6-[[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESCOc1cccc(C=NNc2cc(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,5-8H2,1H3,(H,17,18,20)
InChIKeyMMOIGPFXJOLRFW-UHFFFAOYSA-N
XLogP1.47
TPSA92.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.47
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-[[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 3091862
2-methoxy-6-[[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 3099366
N-(benzylideneamino)-6-morpholin-4-ylpyrimidin-4-amine
CID 3091834
2-methoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 785168
N-(2-methoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112857120
2-[(Z)-[[4-(3-bromoanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-6-methoxyphenol
CID 135887742
N-(2,5-dimethoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112857127
2-methoxy-6-[[[4-morpholin-4-yl-6-(naphthalen-1-ylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 3314272
N-[(Z)-(2-methoxyphenyl)methylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 6279740
N-[[4-(diethylamino)phenyl]methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine
CID 3091826
2-methoxy-6-[[(6-morpholin-4-ylpyrimidin-4-yl)diazenyl]methyl]phenol
CID 91897136
N-[[2-[2-(2-methylphenoxy)ethoxy]phenyl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
CID 3504082

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-methoxy-6-[[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol (CID 2842064) is 2-methoxy-6-[[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-methoxy-6-[[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol is COc1cccc(C=NNc2cc(N3CCOCC3)ncn2)c1O.
What is the InChIKey of 2-methoxy-6-[[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The InChIKey is MMOIGPFXJOLRFW-UHFFFAOYSA-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,5-8H2,1H3,(H,17,18,20).
What are the key properties of 2-methoxy-6-[[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol?
2-methoxy-6-[[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol has a molecular weight of 329.36 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 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)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 2842064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).