2-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl N-(4-methylphenyl)carbamate

C26H30N6O4 — CID 91376685

IUPAC2-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl N-(4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)OCCOc2nc(/N=N/Cc3cccc(C)c3)cc(N3CCOCC3)n2)cc1
InChIInChI=1S/C26H30N6O4/c1-19-6-8-22(9-7-19)28-26(33)36-15-14-35-25-29-23(17-24(30-25)32-10-12-34-13-11-32)31-27-18-21-5-3-4-20(2)16-21/h3-9,16-17H,10-15,18H2,1-2H3,(H,28,33)/b31-27+
InChIKeyCEQLQUQHJXRROU-TVKQRKNISA-N
MW490.56 g/mol
LogP4.84
Rot. Bonds9

About 2-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl N-(4-methylphenyl)carbamate

2-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl N-(4-methylphenyl)carbamate (PubChem CID 91376685) has the molecular formula C26H30N6O4 and a molecular weight of 490.56 g/mol. Its IUPAC name is 2-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl N-(4-methylphenyl)carbamate.

Molecular Properties

Compound Name2-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl N-(4-methylphenyl)carbamate
PubChem CID91376685
Molecular FormulaC26H30N6O4
Molecular Weight490.56 g/mol
Exact Mass490.23
IUPAC Name2-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl N-(4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)OCCOc2nc(/N=N/Cc3cccc(C)c3)cc(N3CCOCC3)n2)cc1
InChIInChI=1S/C26H30N6O4/c1-19-6-8-22(9-7-19)28-26(33)36-15-14-35-25-29-23(17-24(30-25)32-10-12-34-13-11-32)31-27-18-21-5-3-4-20(2)16-21/h3-9,16-17H,10-15,18H2,1-2H3,(H,28,33)/b31-27+
InChIKeyCEQLQUQHJXRROU-TVKQRKNISA-N
XLogP4.84
TPSA110.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl N-(4-methylphenyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-ylpyrimidin-2-yl]propyl N-(4-nitrophenyl)carbamate
CID 90751088
1-cyano-2-[2-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]-3-phenylguanidine
CID 90880187
(2,6-dimorpholin-4-ylpyrimidin-4-yl)-[(3-methylphenyl)methyl]diazene
CID 91896224
[4-[2-(2,3-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene
CID 91396544
3-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-yl-2-pyridinyl]propan-1-ol
CID 91061886
2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl morpholine-4-carboxylate
CID 58613205
2-(3-methylphenyl)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 7593368
4-[[6-[(3-methylphenyl)methyldiazenyl]-4-morpholin-4-yl-2-pyridinyl]oxy]butanenitrile
CID 91056793
3-[2-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-ylpyrimidin-4-yl]propylboronic acid
CID 91101589
(3-methylphenyl)methyl-[4-morpholin-4-yl-6-(2-pyrazin-2-ylethoxy)-2-pyridinyl]diazene
CID 91221280
[2-[2-(2,3-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-4-pyridinyl]-[(3-methylphenyl)methyl]diazene
CID 91383917
2-(3-methylphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544157

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl N-(4-methylphenyl)carbamate?
The IUPAC name of 2-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl N-(4-methylphenyl)carbamate (CID 91376685) is 2-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl N-(4-methylphenyl)carbamate.
What is the SMILES notation for 2-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl N-(4-methylphenyl)carbamate?
The canonical SMILES for 2-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl N-(4-methylphenyl)carbamate is Cc1ccc(NC(=O)OCCOc2nc(/N=N/Cc3cccc(C)c3)cc(N3CCOCC3)n2)cc1.
What is the InChIKey of 2-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl N-(4-methylphenyl)carbamate?
The InChIKey is CEQLQUQHJXRROU-TVKQRKNISA-N. The full InChI is InChI=1S/C26H30N6O4/c1-19-6-8-22(9-7-19)28-26(33)36-15-14-35-25-29-23(17-24(30-25)32-10-12-34-13-11-32)31-27-18-21-5-3-4-20(2)16-21/h3-9,16-17H,10-15,18H2,1-2H3,(H,28,33)/b31-27+.
What are the key properties of 2-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl N-(4-methylphenyl)carbamate?
2-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl N-(4-methylphenyl)carbamate has a molecular weight of 490.56 g/mol, XLogP of 4.84, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl N-(4-methylphenyl)carbamate is sourced from PubChem (CID 91376685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).