4-(2,6-dimethylmorpholin-4-yl)-1-hydroxy-6-imino-1,3,5-triazin-2-amine

C9H16N6O2 — CID 139772646

IUPAC4-(2,6-dimethylmorpholin-4-yl)-1-hydroxy-6-imino-1,3,5-triazin-2-amine
SMILES[H]/N=c1\nc(N2CC(C)OC(C)C2)nc(N)n1O
InChIInChI=1S/C9H16N6O2/c1-5-3-14(4-6(2)17-5)9-12-7(10)15(16)8(11)13-9/h5-6,16H,3-4H2,1-2H3,(H3,10,11,12,13)
InChIKeyLWHXVIHWDBWTMP-UHFFFAOYSA-N
MW240.27 g/mol
LogP-0.81
Rot. Bonds1

About 4-(2,6-dimethylmorpholin-4-yl)-1-hydroxy-6-imino-1,3,5-triazin-2-amine

4-(2,6-dimethylmorpholin-4-yl)-1-hydroxy-6-imino-1,3,5-triazin-2-amine (PubChem CID 139772646) has the molecular formula C9H16N6O2 and a molecular weight of 240.27 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholin-4-yl)-1-hydroxy-6-imino-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2,6-dimethylmorpholin-4-yl)-1-hydroxy-6-imino-1,3,5-triazin-2-amine
PubChem CID139772646
Molecular FormulaC9H16N6O2
Molecular Weight240.27 g/mol
Exact Mass240.13
IUPAC Name4-(2,6-dimethylmorpholin-4-yl)-1-hydroxy-6-imino-1,3,5-triazin-2-amine
SMILES[H]/N=c1\nc(N2CC(C)OC(C)C2)nc(N)n1O
InChIInChI=1S/C9H16N6O2/c1-5-3-14(4-6(2)17-5)9-12-7(10)15(16)8(11)13-9/h5-6,16H,3-4H2,1-2H3,(H3,10,11,12,13)
InChIKeyLWHXVIHWDBWTMP-UHFFFAOYSA-N
XLogP-0.81
TPSA113.28 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

N',2,6-trimethylmorpholine-4-carboximidamide
CID 62358592
(2S)-N'-hydroxy-2-methylmorpholine-4-carboximidamide
CID 166099595
N'-hydroxy-2-methylmorpholine-4-carboximidamide
CID 166099618
(2S)-N'-hydroxy-2-methylmorpholine-4-carboximidamide
CID 175815506
2-ethyl-N'-methylmorpholine-4-carboximidamide
CID 62360606
N'-ethyl-2,6-dimethylmorpholine-4-carboximidamide
CID 62360847
2,6-dimethyl-N'-propylmorpholine-4-carboximidamide
CID 62360848
N'-ethyl-2-methylmorpholine-4-carboximidamide
CID 62360852
2-methyl-N'-propylmorpholine-4-carboximidamide
CID 62360853
N',2-diethylmorpholine-4-carboximidamide
CID 62363865
2-ethyl-N'-propylmorpholine-4-carboximidamide
CID 62363866
2-ethyl-N'-hydroxymorpholine-4-carboximidamide
CID 62481077

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)-1-hydroxy-6-imino-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)-1-hydroxy-6-imino-1,3,5-triazin-2-amine (CID 139772646) is 4-(2,6-dimethylmorpholin-4-yl)-1-hydroxy-6-imino-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2,6-dimethylmorpholin-4-yl)-1-hydroxy-6-imino-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2,6-dimethylmorpholin-4-yl)-1-hydroxy-6-imino-1,3,5-triazin-2-amine is [H]/N=c1\nc(N2CC(C)OC(C)C2)nc(N)n1O.
What is the InChIKey of 4-(2,6-dimethylmorpholin-4-yl)-1-hydroxy-6-imino-1,3,5-triazin-2-amine?
The InChIKey is LWHXVIHWDBWTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O2/c1-5-3-14(4-6(2)17-5)9-12-7(10)15(16)8(11)13-9/h5-6,16H,3-4H2,1-2H3,(H3,10,11,12,13).
What are the key properties of 4-(2,6-dimethylmorpholin-4-yl)-1-hydroxy-6-imino-1,3,5-triazin-2-amine?
4-(2,6-dimethylmorpholin-4-yl)-1-hydroxy-6-imino-1,3,5-triazin-2-amine has a molecular weight of 240.27 g/mol, XLogP of -0.81, 1 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylmorpholin-4-yl)-1-hydroxy-6-imino-1,3,5-triazin-2-amine is sourced from PubChem (CID 139772646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).