4-bromo-2-methoxy-6-[(Z)-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol

C16H19BrN6O4 — CID 136914683

IUPAC4-bromo-2-methoxy-6-[(Z)-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
SMILESCOc1nc(N/N=C\c2cc(Br)cc(OC)c2O)nc(N2CCOCC2)n1
InChIInChI=1S/C16H19BrN6O4/c1-25-12-8-11(17)7-10(13(12)24)9-18-22-14-19-15(21-16(20-14)26-2)23-3-5-27-6-4-23/h7-9,24H,3-6H2,1-2H3,(H,19,20,21,22)/b18-9-
InChIKeyMSDORFQZENGUTO-NVMNQCDNSA-N
MW439.27 g/mol
LogP1.64
Rot. Bonds6

About 4-bromo-2-methoxy-6-[(Z)-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol

4-bromo-2-methoxy-6-[(Z)-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 136914683) has the molecular formula C16H19BrN6O4 and a molecular weight of 439.27 g/mol. Its IUPAC name is 4-bromo-2-methoxy-6-[(Z)-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-methoxy-6-[(Z)-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
PubChem CID136914683
Molecular FormulaC16H19BrN6O4
Molecular Weight439.27 g/mol
Exact Mass438.07
IUPAC Name4-bromo-2-methoxy-6-[(Z)-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
SMILESCOc1nc(N/N=C\c2cc(Br)cc(OC)c2O)nc(N2CCOCC2)n1
InChIInChI=1S/C16H19BrN6O4/c1-25-12-8-11(17)7-10(13(12)24)9-18-22-14-19-15(21-16(20-14)26-2)23-3-5-27-6-4-23/h7-9,24H,3-6H2,1-2H3,(H,19,20,21,22)/b18-9-
InChIKeyMSDORFQZENGUTO-NVMNQCDNSA-N
XLogP1.64
TPSA114.22 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.27
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

4-bromo-2-[(Z)-[[4-(2-bromo-5-chloro-4-methylanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-6-methoxyphenol
CID 137089064
2,4-dibromo-6-[(E)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
CID 135515693
2-bromo-6-[(Z)-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-4-nitrophenol
CID 135906562
2,3-dibromo-6-methoxy-4-[(Z)-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
CID 136748053
2,3-dibromo-6-methoxy-4-[(E)-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
CID 135613536
2-methoxy-4-[(E)-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
CID 135479775
N-[(3,5-dibromo-2-methoxyphenyl)methylideneamino]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 4168312
N-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 6026693
3,4-dibromo-2-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-6-methoxyphenol
CID 136856983
2-[(Z)-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-4,6-dinitrophenol
CID 135936333
4-[[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
CID 3106803
2-[(Z)-[[4-(3-bromoanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-6-methoxyphenol
CID 135887742

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-6-[(Z)-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-bromo-2-methoxy-6-[(Z)-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol (CID 136914683) is 4-bromo-2-methoxy-6-[(Z)-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-bromo-2-methoxy-6-[(Z)-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-bromo-2-methoxy-6-[(Z)-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol is COc1nc(N/N=C\c2cc(Br)cc(OC)c2O)nc(N2CCOCC2)n1.
What is the InChIKey of 4-bromo-2-methoxy-6-[(Z)-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is MSDORFQZENGUTO-NVMNQCDNSA-N. The full InChI is InChI=1S/C16H19BrN6O4/c1-25-12-8-11(17)7-10(13(12)24)9-18-22-14-19-15(21-16(20-14)26-2)23-3-5-27-6-4-23/h7-9,24H,3-6H2,1-2H3,(H,19,20,21,22)/b18-9-.
What are the key properties of 4-bromo-2-methoxy-6-[(Z)-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol?
4-bromo-2-methoxy-6-[(Z)-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 439.27 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-6-[(Z)-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 136914683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).