2-[diazenyl-(2,6-dimorpholin-4-ylpyrimidin-4-yl)methyl]phenol

C19H24N6O3 — CID 123459435

IUPAC2-[diazenyl-(2,6-dimorpholin-4-ylpyrimidin-4-yl)methyl]phenol
SMILES[H]/N=N/C(c1cc(N2CCOCC2)nc(N2CCOCC2)n1)c1ccccc1O
InChIInChI=1S/C19H24N6O3/c20-23-18(14-3-1-2-4-16(14)26)15-13-17(24-5-9-27-10-6-24)22-19(21-15)25-7-11-28-12-8-25/h1-4,13,18,20,26H,5-12H2/b23-20+
InChIKeyCRMZAFBMNHEYTQ-BSYVCWPDSA-N
MW384.44 g/mol
LogP1.98
Rot. Bonds5

About 2-[diazenyl-(2,6-dimorpholin-4-ylpyrimidin-4-yl)methyl]phenol

2-[diazenyl-(2,6-dimorpholin-4-ylpyrimidin-4-yl)methyl]phenol (PubChem CID 123459435) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-[diazenyl-(2,6-dimorpholin-4-ylpyrimidin-4-yl)methyl]phenol.

Molecular Properties

Compound Name2-[diazenyl-(2,6-dimorpholin-4-ylpyrimidin-4-yl)methyl]phenol
PubChem CID123459435
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Name2-[diazenyl-(2,6-dimorpholin-4-ylpyrimidin-4-yl)methyl]phenol
SMILES[H]/N=N/C(c1cc(N2CCOCC2)nc(N2CCOCC2)n1)c1ccccc1O
InChIInChI=1S/C19H24N6O3/c20-23-18(14-3-1-2-4-16(14)26)15-13-17(24-5-9-27-10-6-24)22-19(21-15)25-7-11-28-12-8-25/h1-4,13,18,20,26H,5-12H2/b23-20+
InChIKeyCRMZAFBMNHEYTQ-BSYVCWPDSA-N
XLogP1.98
TPSA107.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(2,6-dimorpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]phenol
CID 51041576
2-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)propyl]phenol
CID 158695019
4-(2-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
CID 67897493
2,6-dimorpholin-4-ylpyrimidine-4-carboxylate
CID 6989309
4-[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112912286
4-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)piperazine-1-carbaldehyde
CID 112935367
2-[2-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 122333532
4-[(E)-[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 135501770
4-bromo-2-[[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 2852856
4-[6-methyl-2-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine
CID 154883227
8-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 112935398
1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-(difluoromethyl)benzimidazol-4-ol;yttrium
CID 59595943

Frequently Asked Questions

What is the IUPAC name of 2-[diazenyl-(2,6-dimorpholin-4-ylpyrimidin-4-yl)methyl]phenol?
The IUPAC name of 2-[diazenyl-(2,6-dimorpholin-4-ylpyrimidin-4-yl)methyl]phenol (CID 123459435) is 2-[diazenyl-(2,6-dimorpholin-4-ylpyrimidin-4-yl)methyl]phenol.
What is the SMILES notation for 2-[diazenyl-(2,6-dimorpholin-4-ylpyrimidin-4-yl)methyl]phenol?
The canonical SMILES for 2-[diazenyl-(2,6-dimorpholin-4-ylpyrimidin-4-yl)methyl]phenol is [H]/N=N/C(c1cc(N2CCOCC2)nc(N2CCOCC2)n1)c1ccccc1O.
What is the InChIKey of 2-[diazenyl-(2,6-dimorpholin-4-ylpyrimidin-4-yl)methyl]phenol?
The InChIKey is CRMZAFBMNHEYTQ-BSYVCWPDSA-N. The full InChI is InChI=1S/C19H24N6O3/c20-23-18(14-3-1-2-4-16(14)26)15-13-17(24-5-9-27-10-6-24)22-19(21-15)25-7-11-28-12-8-25/h1-4,13,18,20,26H,5-12H2/b23-20+.
What are the key properties of 2-[diazenyl-(2,6-dimorpholin-4-ylpyrimidin-4-yl)methyl]phenol?
2-[diazenyl-(2,6-dimorpholin-4-ylpyrimidin-4-yl)methyl]phenol has a molecular weight of 384.44 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[diazenyl-(2,6-dimorpholin-4-ylpyrimidin-4-yl)methyl]phenol is sourced from PubChem (CID 123459435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).