[6-morpholin-4-yl-2-[2-(1-oxidopyridin-1-ium-2-yl)ethoxy]pyrimidin-4-yl]hydrazine

C15H20N6O3 — CID 22288354

IUPAC[6-morpholin-4-yl-2-[2-(1-oxidopyridin-1-ium-2-yl)ethoxy]pyrimidin-4-yl]hydrazine
SMILESNNc1cc(N2CCOCC2)nc(OCCc2cccc[n+]2[O-])n1
InChIInChI=1S/C15H20N6O3/c16-19-13-11-14(20-6-9-23-10-7-20)18-15(17-13)24-8-4-12-3-1-2-5-21(12)22/h1-3,5,11H,4,6-10,16H2,(H,17,18,19)
InChIKeyXIBMGDDMLKYUCB-UHFFFAOYSA-N
MW332.36 g/mol
LogP-0.15
Rot. Bonds6

About [6-morpholin-4-yl-2-[2-(1-oxidopyridin-1-ium-2-yl)ethoxy]pyrimidin-4-yl]hydrazine

[6-morpholin-4-yl-2-[2-(1-oxidopyridin-1-ium-2-yl)ethoxy]pyrimidin-4-yl]hydrazine (PubChem CID 22288354) has the molecular formula C15H20N6O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is [6-morpholin-4-yl-2-[2-(1-oxidopyridin-1-ium-2-yl)ethoxy]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-morpholin-4-yl-2-[2-(1-oxidopyridin-1-ium-2-yl)ethoxy]pyrimidin-4-yl]hydrazine
PubChem CID22288354
Molecular FormulaC15H20N6O3
Molecular Weight332.36 g/mol
Exact Mass332.16
IUPAC Name[6-morpholin-4-yl-2-[2-(1-oxidopyridin-1-ium-2-yl)ethoxy]pyrimidin-4-yl]hydrazine
SMILESNNc1cc(N2CCOCC2)nc(OCCc2cccc[n+]2[O-])n1
InChIInChI=1S/C15H20N6O3/c16-19-13-11-14(20-6-9-23-10-7-20)18-15(17-13)24-8-4-12-3-1-2-5-21(12)22/h1-3,5,11H,4,6-10,16H2,(H,17,18,19)
InChIKeyXIBMGDDMLKYUCB-UHFFFAOYSA-N
XLogP-0.15
TPSA112.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-butoxy-N-[(3,4-dichlorophenyl)methyl]-6-morpholin-4-ylpyrimidin-4-amine
CID 68856599
N-[(3-fluorophenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 66681810
1-(2H-chromen-4-yl)-2-[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazine
CID 91071322
N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-[3-(1-oxidopyridin-1-ium-2-yl)propoxy]pyridin-2-amine
CID 66683496
N-[(E)-(2-iodo-4-pyridinyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 172933395
[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methanamine
CID 58531807
[2-ethyl-6-(1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine
CID 80938080
1-(3-bromophenyl)-3-[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]urea
CID 59258726
N-[(5-fluoro-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine
CID 73203161
(5E)-5-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-7,8-dihydro-6H-naphthalen-1-ol
CID 58085757
2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl morpholine-4-carboxylate
CID 58613205
N-(6,7-dihydro-5H-2,1,3-benzoxadiazol-4-ylideneamino)-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine
CID 76663245

Frequently Asked Questions

What is the IUPAC name of [6-morpholin-4-yl-2-[2-(1-oxidopyridin-1-ium-2-yl)ethoxy]pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-morpholin-4-yl-2-[2-(1-oxidopyridin-1-ium-2-yl)ethoxy]pyrimidin-4-yl]hydrazine (CID 22288354) is [6-morpholin-4-yl-2-[2-(1-oxidopyridin-1-ium-2-yl)ethoxy]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-morpholin-4-yl-2-[2-(1-oxidopyridin-1-ium-2-yl)ethoxy]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-morpholin-4-yl-2-[2-(1-oxidopyridin-1-ium-2-yl)ethoxy]pyrimidin-4-yl]hydrazine is NNc1cc(N2CCOCC2)nc(OCCc2cccc[n+]2[O-])n1.
What is the InChIKey of [6-morpholin-4-yl-2-[2-(1-oxidopyridin-1-ium-2-yl)ethoxy]pyrimidin-4-yl]hydrazine?
The InChIKey is XIBMGDDMLKYUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O3/c16-19-13-11-14(20-6-9-23-10-7-20)18-15(17-13)24-8-4-12-3-1-2-5-21(12)22/h1-3,5,11H,4,6-10,16H2,(H,17,18,19).
What are the key properties of [6-morpholin-4-yl-2-[2-(1-oxidopyridin-1-ium-2-yl)ethoxy]pyrimidin-4-yl]hydrazine?
[6-morpholin-4-yl-2-[2-(1-oxidopyridin-1-ium-2-yl)ethoxy]pyrimidin-4-yl]hydrazine has a molecular weight of 332.36 g/mol, XLogP of -0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-morpholin-4-yl-2-[2-(1-oxidopyridin-1-ium-2-yl)ethoxy]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 22288354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).