(3,4-dimethylphenyl)-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methyl]diazene

C24H34N6O2 — CID 91029551

IUPAC(3,4-dimethylphenyl)-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methyl]diazene
SMILESCc1ccc(/N=N/Cc2cc(N3CCOCC3)nc(OCCN3CCCCC3)n2)cc1C
InChIInChI=1S/C24H34N6O2/c1-19-6-7-21(16-20(19)2)28-25-18-22-17-23(30-11-13-31-14-12-30)27-24(26-22)32-15-10-29-8-4-3-5-9-29/h6-7,16-17H,3-5,8-15,18H2,1-2H3/b28-25+
InChIKeyWMBKPVLVZIWYGA-AZPGRJICSA-N
MW438.58 g/mol
LogP4.08
Rot. Bonds8

About (3,4-dimethylphenyl)-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methyl]diazene

(3,4-dimethylphenyl)-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methyl]diazene (PubChem CID 91029551) has the molecular formula C24H34N6O2 and a molecular weight of 438.58 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methyl]diazene.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methyl]diazene
PubChem CID91029551
Molecular FormulaC24H34N6O2
Molecular Weight438.58 g/mol
Exact Mass438.27
IUPAC Name(3,4-dimethylphenyl)-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methyl]diazene
SMILESCc1ccc(/N=N/Cc2cc(N3CCOCC3)nc(OCCN3CCCCC3)n2)cc1C
InChIInChI=1S/C24H34N6O2/c1-19-6-7-21(16-20(19)2)28-25-18-22-17-23(30-11-13-31-14-12-30)27-24(26-22)32-15-10-29-8-4-3-5-9-29/h6-7,16-17H,3-5,8-15,18H2,1-2H3/b28-25+
InChIKeyWMBKPVLVZIWYGA-AZPGRJICSA-N
XLogP4.08
TPSA75.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1H-indol-3-yl-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methyl]diazene
CID 136660451
4-[[2-(2-hydroxy-2-methylpropoxy)-6-morpholin-4-ylpyrimidin-4-yl]methyldiazenyl]phenol
CID 136653588
[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methanamine
CID 58531807
4-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]methyldiazenyl]phenol
CID 136653620
6-methyl-N-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methyl]chromen-4-imine
CID 58234816
5-methyl-3-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methylimino]-1H-inden-2-one
CID 58531811
(3,4-dimethylphenyl)methyl-[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazene
CID 90855310
1-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methylimino]-2,3-dihydroinden-4-ol
CID 58234827
(4,5-dimethylfuran-2-yl)-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]diazene
CID 91613854
1-[2-(3,4-dimethylphenoxy)ethyl]azepane
CID 82086608
N-[(E)-(6-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-6-piperidin-1-ylpyrimidin-4-amine
CID 143450308
4-[6-(3-methylphenyl)-2-(2-piperidin-1-ylethoxy)quinazolin-4-yl]morpholine
CID 143533307

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methyl]diazene?
The IUPAC name of (3,4-dimethylphenyl)-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methyl]diazene (CID 91029551) is (3,4-dimethylphenyl)-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methyl]diazene.
What is the SMILES notation for (3,4-dimethylphenyl)-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methyl]diazene?
The canonical SMILES for (3,4-dimethylphenyl)-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methyl]diazene is Cc1ccc(/N=N/Cc2cc(N3CCOCC3)nc(OCCN3CCCCC3)n2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methyl]diazene?
The InChIKey is WMBKPVLVZIWYGA-AZPGRJICSA-N. The full InChI is InChI=1S/C24H34N6O2/c1-19-6-7-21(16-20(19)2)28-25-18-22-17-23(30-11-13-31-14-12-30)27-24(26-22)32-15-10-29-8-4-3-5-9-29/h6-7,16-17H,3-5,8-15,18H2,1-2H3/b28-25+.
What are the key properties of (3,4-dimethylphenyl)-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methyl]diazene?
(3,4-dimethylphenyl)-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methyl]diazene has a molecular weight of 438.58 g/mol, XLogP of 4.08, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methyl]diazene is sourced from PubChem (CID 91029551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).