3-[(E)-[(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)hydrazinylidene]methyl]phenol

C18H18N6O2 — CID 168922526

IUPAC3-[(E)-[(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)hydrazinylidene]methyl]phenol
SMILESOc1cccc(/C=N/Nc2nc(N3CCOCC3)c3ncccc3n2)c1
InChIInChI=1S/C18H18N6O2/c25-14-4-1-3-13(11-14)12-20-23-18-21-15-5-2-6-19-16(15)17(22-18)24-7-9-26-10-8-24/h1-6,11-12,25H,7-10H2,(H,21,22,23)/b20-12+
InChIKeyCMKNZJSNWDXXOV-UDWIEESQSA-N
MW350.38 g/mol
LogP2.01
Rot. Bonds4

About 3-[(E)-[(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)hydrazinylidene]methyl]phenol

3-[(E)-[(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 168922526) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 3-[(E)-[(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name3-[(E)-[(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)hydrazinylidene]methyl]phenol
PubChem CID168922526
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name3-[(E)-[(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)hydrazinylidene]methyl]phenol
SMILESOc1cccc(/C=N/Nc2nc(N3CCOCC3)c3ncccc3n2)c1
InChIInChI=1S/C18H18N6O2/c25-14-4-1-3-13(11-14)12-20-23-18-21-15-5-2-6-19-16(15)17(22-18)24-7-9-26-10-8-24/h1-6,11-12,25H,7-10H2,(H,21,22,23)/b20-12+
InChIKeyCMKNZJSNWDXXOV-UDWIEESQSA-N
XLogP2.01
TPSA95.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide
CID 138682526
2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-(oxetan-3-yl)-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide
CID 138682644
N-(benzylideneamino)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 2849563
N-[(E)-(4-methylphenyl)methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine
CID 71557963
5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-yl-N-pyridin-2-yl-[1,3]oxazolo[4,5-d]pyrimidine-2-carboxamide
CID 138682574
3-[3-[3-ethyl-4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]anilino]phenyl]phenol
CID 58877270
(1-aminocyclopropyl)-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
CID 155732856
2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine-6-carboxamide
CID 138682636
N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 94845113
4-[[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
CID 3106803
[3-[(E)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] benzoate
CID 5334072
4-[[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
CID 3667808

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-[(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 3-[(E)-[(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)hydrazinylidene]methyl]phenol (CID 168922526) is 3-[(E)-[(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 3-[(E)-[(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 3-[(E)-[(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)hydrazinylidene]methyl]phenol is Oc1cccc(/C=N/Nc2nc(N3CCOCC3)c3ncccc3n2)c1.
What is the InChIKey of 3-[(E)-[(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is CMKNZJSNWDXXOV-UDWIEESQSA-N. The full InChI is InChI=1S/C18H18N6O2/c25-14-4-1-3-13(11-14)12-20-23-18-21-15-5-2-6-19-16(15)17(22-18)24-7-9-26-10-8-24/h1-6,11-12,25H,7-10H2,(H,21,22,23)/b20-12+.
What are the key properties of 3-[(E)-[(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)hydrazinylidene]methyl]phenol?
3-[(E)-[(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 350.38 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-[(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 168922526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).