(2,6-dimorpholin-4-ylpyrimidin-4-yl)-[(3-methylphenyl)methyl]diazene

C20H26N6O2 — CID 91896224

IUPAC(2,6-dimorpholin-4-ylpyrimidin-4-yl)-[(3-methylphenyl)methyl]diazene
SMILESCc1cccc(C/N=N/c2cc(N3CCOCC3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C20H26N6O2/c1-16-3-2-4-17(13-16)15-21-24-18-14-19(25-5-9-27-10-6-25)23-20(22-18)26-7-11-28-12-8-26/h2-4,13-14H,5-12,15H2,1H3/b24-21+
InChIKeyHVNKZACKJFQDGA-DARPEHSRSA-N
MW382.47 g/mol
LogP2.74
Rot. Bonds5

About (2,6-dimorpholin-4-ylpyrimidin-4-yl)-[(3-methylphenyl)methyl]diazene

(2,6-dimorpholin-4-ylpyrimidin-4-yl)-[(3-methylphenyl)methyl]diazene (PubChem CID 91896224) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is (2,6-dimorpholin-4-ylpyrimidin-4-yl)-[(3-methylphenyl)methyl]diazene.

Molecular Properties

Compound Name(2,6-dimorpholin-4-ylpyrimidin-4-yl)-[(3-methylphenyl)methyl]diazene
PubChem CID91896224
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name(2,6-dimorpholin-4-ylpyrimidin-4-yl)-[(3-methylphenyl)methyl]diazene
SMILESCc1cccc(C/N=N/c2cc(N3CCOCC3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C20H26N6O2/c1-16-3-2-4-17(13-16)15-21-24-18-14-19(25-5-9-27-10-6-25)23-20(22-18)26-7-11-28-12-8-26/h2-4,13-14H,5-12,15H2,1H3/b24-21+
InChIKeyHVNKZACKJFQDGA-DARPEHSRSA-N
XLogP2.74
TPSA75.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 52.74
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 (2,6-dimorpholin-4-ylpyrimidin-4-yl)-[(3-methylphenyl)methyl]diazene?
The IUPAC name of (2,6-dimorpholin-4-ylpyrimidin-4-yl)-[(3-methylphenyl)methyl]diazene (CID 91896224) is (2,6-dimorpholin-4-ylpyrimidin-4-yl)-[(3-methylphenyl)methyl]diazene.
What is the SMILES notation for (2,6-dimorpholin-4-ylpyrimidin-4-yl)-[(3-methylphenyl)methyl]diazene?
The canonical SMILES for (2,6-dimorpholin-4-ylpyrimidin-4-yl)-[(3-methylphenyl)methyl]diazene is Cc1cccc(C/N=N/c2cc(N3CCOCC3)nc(N3CCOCC3)n2)c1.
What is the InChIKey of (2,6-dimorpholin-4-ylpyrimidin-4-yl)-[(3-methylphenyl)methyl]diazene?
The InChIKey is HVNKZACKJFQDGA-DARPEHSRSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-16-3-2-4-17(13-16)15-21-24-18-14-19(25-5-9-27-10-6-25)23-20(22-18)26-7-11-28-12-8-26/h2-4,13-14H,5-12,15H2,1H3/b24-21+.
What are the key properties of (2,6-dimorpholin-4-ylpyrimidin-4-yl)-[(3-methylphenyl)methyl]diazene?
(2,6-dimorpholin-4-ylpyrimidin-4-yl)-[(3-methylphenyl)methyl]diazene has a molecular weight of 382.47 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimorpholin-4-ylpyrimidin-4-yl)-[(3-methylphenyl)methyl]diazene is sourced from PubChem (CID 91896224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).