N-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]propan-2-imine

C14H22N6O3 — CID 945213

IUPACN-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]propan-2-imine
SMILESCC(C)=NOc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C14H22N6O3/c1-11(2)18-23-14-16-12(19-3-7-21-8-4-19)15-13(17-14)20-5-9-22-10-6-20/h3-10H2,1-2H3
InChIKeyWQUQRKIQODMJKB-UHFFFAOYSA-N
MW322.37 g/mol
LogP0.32
Rot. Bonds4

About N-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]propan-2-imine

N-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]propan-2-imine (PubChem CID 945213) has the molecular formula C14H22N6O3 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]propan-2-imine.

Molecular Properties

Compound NameN-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]propan-2-imine
PubChem CID945213
Molecular FormulaC14H22N6O3
Molecular Weight322.37 g/mol
Exact Mass322.18
IUPAC NameN-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]propan-2-imine
SMILESCC(C)=NOc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C14H22N6O3/c1-11(2)18-23-14-16-12(19-3-7-21-8-4-19)15-13(17-14)20-5-9-22-10-6-20/h3-10H2,1-2H3
InChIKeyWQUQRKIQODMJKB-UHFFFAOYSA-N
XLogP0.32
TPSA85.20 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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,N-dimethyl-4-morpholin-4-yl-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-amine
CID 943695
2-Ethoxy-4,6-dimorpholin-4-yl-1,3,5-triazine
CID 703119
N-[4-[hydroxy(methyl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-N-methylhydroxylamine
CID 44186462
(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-methylcyanamide
CID 714956
s-Triazine, 2,4-dimorpholino-6-methyl-
CID 33387
4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl(isopropyl)cyanamide
CID 714962
4,6-Dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 4577604
2-Chloro-4,6-bis(morpholin-4-yl)-1,3,5-triazine
CID 224967
2-(Dimethylamino)-4,6-dimorpholino-1,3,5-triazine
CID 626291
6-Methoxy-2,4-dimorpholin-4-yl-1,3,5-triazine
CID 703118
4,6-Dimorpholino-2-trimethylammonio-sym-triazine chloride
CID 15890380
N-[4-[methoxy(methyl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-N-methylhydroxylamine
CID 45029393

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]propan-2-imine?
The IUPAC name of N-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]propan-2-imine (CID 945213) is N-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]propan-2-imine.
What is the SMILES notation for N-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]propan-2-imine?
The canonical SMILES for N-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]propan-2-imine is CC(C)=NOc1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of N-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]propan-2-imine?
The InChIKey is WQUQRKIQODMJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O3/c1-11(2)18-23-14-16-12(19-3-7-21-8-4-19)15-13(17-14)20-5-9-22-10-6-20/h3-10H2,1-2H3.
What are the key properties of N-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]propan-2-imine?
N-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]propan-2-imine has a molecular weight of 322.37 g/mol, XLogP of 0.32, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]propan-2-imine is sourced from PubChem (CID 945213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).