(3-methylphenyl)methyl-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]diazene

C23H26N6O2 — CID 90859366

IUPAC(3-methylphenyl)methyl-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]diazene
SMILESCc1cccc(C/N=N/c2cc(N3CCOCC3)nc(OCCc3ccccn3)n2)c1
InChIInChI=1S/C23H26N6O2/c1-18-5-4-6-19(15-18)17-25-28-21-16-22(29-10-13-30-14-11-29)27-23(26-21)31-12-8-20-7-2-3-9-24-20/h2-7,9,15-16H,8,10-14,17H2,1H3/b28-25+
InChIKeyZFXOBTRNGZIGSQ-AZPGRJICSA-N
MW418.50 g/mol
LogP3.92
Rot. Bonds8

About (3-methylphenyl)methyl-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]diazene

(3-methylphenyl)methyl-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]diazene (PubChem CID 90859366) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is (3-methylphenyl)methyl-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]diazene.

Molecular Properties

Compound Name(3-methylphenyl)methyl-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]diazene
PubChem CID90859366
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name(3-methylphenyl)methyl-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]diazene
SMILESCc1cccc(C/N=N/c2cc(N3CCOCC3)nc(OCCc3ccccn3)n2)c1
InChIInChI=1S/C23H26N6O2/c1-18-5-4-6-19(15-18)17-25-28-21-16-22(29-10-13-30-14-11-29)27-23(26-21)31-12-8-20-7-2-3-9-24-20/h2-7,9,15-16H,8,10-14,17H2,1H3/b28-25+
InChIKeyZFXOBTRNGZIGSQ-AZPGRJICSA-N
XLogP3.92
TPSA85.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.92
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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Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)methyl-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]diazene?
The IUPAC name of (3-methylphenyl)methyl-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]diazene (CID 90859366) is (3-methylphenyl)methyl-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]diazene.
What is the SMILES notation for (3-methylphenyl)methyl-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]diazene?
The canonical SMILES for (3-methylphenyl)methyl-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]diazene is Cc1cccc(C/N=N/c2cc(N3CCOCC3)nc(OCCc3ccccn3)n2)c1.
What is the InChIKey of (3-methylphenyl)methyl-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]diazene?
The InChIKey is ZFXOBTRNGZIGSQ-AZPGRJICSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-18-5-4-6-19(15-18)17-25-28-21-16-22(29-10-13-30-14-11-29)27-23(26-21)31-12-8-20-7-2-3-9-24-20/h2-7,9,15-16H,8,10-14,17H2,1H3/b28-25+.
What are the key properties of (3-methylphenyl)methyl-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]diazene?
(3-methylphenyl)methyl-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]diazene has a molecular weight of 418.50 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)methyl-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]diazene is sourced from PubChem (CID 90859366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).