N-(4-methylphenyl)-4-morpholin-4-yl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazin-2-amine

C26H27N7O4 — CID 23607077

IUPACN-(4-methylphenyl)-4-morpholin-4-yl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazin-2-amine
SMILESCc1ccc(Nc2nc(Oc3ccc(OCCOc4ccccc4)nn3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C26H27N7O4/c1-19-7-9-20(10-8-19)27-24-28-25(33-13-15-34-16-14-33)30-26(29-24)37-23-12-11-22(31-32-23)36-18-17-35-21-5-3-2-4-6-21/h2-12H,13-18H2,1H3,(H,27,28,29,30)
InChIKeyHQJJIEQKJJGHAD-UHFFFAOYSA-N
MW501.55 g/mol
LogP3.80
Rot. Bonds10

About N-(4-methylphenyl)-4-morpholin-4-yl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazin-2-amine

N-(4-methylphenyl)-4-morpholin-4-yl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazin-2-amine (PubChem CID 23607077) has the molecular formula C26H27N7O4 and a molecular weight of 501.55 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-morpholin-4-yl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-morpholin-4-yl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazin-2-amine
PubChem CID23607077
Molecular FormulaC26H27N7O4
Molecular Weight501.55 g/mol
Exact Mass501.21
IUPAC NameN-(4-methylphenyl)-4-morpholin-4-yl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazin-2-amine
SMILESCc1ccc(Nc2nc(Oc3ccc(OCCOc4ccccc4)nn3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C26H27N7O4/c1-19-7-9-20(10-8-19)27-24-28-25(33-13-15-34-16-14-33)30-26(29-24)37-23-12-11-22(31-32-23)36-18-17-35-21-5-3-2-4-6-21/h2-12H,13-18H2,1H3,(H,27,28,29,30)
InChIKeyHQJJIEQKJJGHAD-UHFFFAOYSA-N
XLogP3.80
TPSA116.64 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.55
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(4-methylphenyl)-4-morpholin-4-yl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

4-methoxy-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine
CID 1077239
2-N-(4-ethoxyphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580366
2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580364
2-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80751542
6-morpholin-4-yl-2-N,4-N-bis(4-phenylphenyl)-1,3,5-triazine-2,4-diamine
CID 10074710
2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoic acid
CID 4767473
2-N-(3-methylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580405
2-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 39847761
4-N-(4-methylphenyl)-2-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 171981603
6-morpholin-4-yl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 22115031
4-methoxy-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
CID 1273820
4-[4-piperidin-1-yl-6-(6-prop-2-enoxypyridazin-3-yl)oxy-1,3,5-triazin-2-yl]morpholine
CID 27396221

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-morpholin-4-yl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazin-2-amine?
The IUPAC name of N-(4-methylphenyl)-4-morpholin-4-yl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazin-2-amine (CID 23607077) is N-(4-methylphenyl)-4-morpholin-4-yl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(4-methylphenyl)-4-morpholin-4-yl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-(4-methylphenyl)-4-morpholin-4-yl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazin-2-amine is Cc1ccc(Nc2nc(Oc3ccc(OCCOc4ccccc4)nn3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-morpholin-4-yl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazin-2-amine?
The InChIKey is HQJJIEQKJJGHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O4/c1-19-7-9-20(10-8-19)27-24-28-25(33-13-15-34-16-14-33)30-26(29-24)37-23-12-11-22(31-32-23)36-18-17-35-21-5-3-2-4-6-21/h2-12H,13-18H2,1H3,(H,27,28,29,30).
What are the key properties of N-(4-methylphenyl)-4-morpholin-4-yl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazin-2-amine?
N-(4-methylphenyl)-4-morpholin-4-yl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazin-2-amine has a molecular weight of 501.55 g/mol, XLogP of 3.80, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-morpholin-4-yl-6-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 23607077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).