4-(tert-butylamino)-N'-hydroxy-6-morpholin-4-yl-1,3,5-triazine-2-carboximidamide

C12H21N7O2 — CID 136821405

IUPAC4-(tert-butylamino)-N'-hydroxy-6-morpholin-4-yl-1,3,5-triazine-2-carboximidamide
SMILESCC(C)(C)Nc1nc(/C(N)=N/O)nc(N2CCOCC2)n1
InChIInChI=1S/C12H21N7O2/c1-12(2,3)17-10-14-9(8(13)18-20)15-11(16-10)19-4-6-21-7-5-19/h20H,4-7H2,1-3H3,(H2,13,18)(H,14,15,16,17)
InChIKeyWNWANIDSFKBEIV-UHFFFAOYSA-N
MW295.35 g/mol
LogP0.01
Rot. Bonds3

About 4-(tert-butylamino)-N'-hydroxy-6-morpholin-4-yl-1,3,5-triazine-2-carboximidamide

4-(tert-butylamino)-N'-hydroxy-6-morpholin-4-yl-1,3,5-triazine-2-carboximidamide (PubChem CID 136821405) has the molecular formula C12H21N7O2 and a molecular weight of 295.35 g/mol. Its IUPAC name is 4-(tert-butylamino)-N'-hydroxy-6-morpholin-4-yl-1,3,5-triazine-2-carboximidamide.

Molecular Properties

Compound Name4-(tert-butylamino)-N'-hydroxy-6-morpholin-4-yl-1,3,5-triazine-2-carboximidamide
PubChem CID136821405
Molecular FormulaC12H21N7O2
Molecular Weight295.35 g/mol
Exact Mass295.18
IUPAC Name4-(tert-butylamino)-N'-hydroxy-6-morpholin-4-yl-1,3,5-triazine-2-carboximidamide
SMILESCC(C)(C)Nc1nc(/C(N)=N/O)nc(N2CCOCC2)n1
InChIInChI=1S/C12H21N7O2/c1-12(2,3)17-10-14-9(8(13)18-20)15-11(16-10)19-4-6-21-7-5-19/h20H,4-7H2,1-3H3,(H2,13,18)(H,14,15,16,17)
InChIKeyWNWANIDSFKBEIV-UHFFFAOYSA-N
XLogP0.01
TPSA121.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-4,6-dimorpholin-4-yl-1,3,5-triazine-2-carboximidamide
CID 135517571
N-tert-butyl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 974630
4-(2-hydroxyethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carbothioamide
CID 110178408
N-tert-butyl-4-(2-morpholin-4-ium-4-ylethylsulfanyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine chloride
CID 110178400
4-N-methyl-2-N-(3-methylpentan-3-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 106332082
2-methyl-2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 80824824
2-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80770087
2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]acetamide
CID 80769709
4-chloro-6-morpholin-4-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine
CID 139072586
2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetamide
CID 80769608
N-ethyl-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 34253082
N-(3,3-dimethylbutan-2-yl)-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 104830689

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-N'-hydroxy-6-morpholin-4-yl-1,3,5-triazine-2-carboximidamide?
The IUPAC name of 4-(tert-butylamino)-N'-hydroxy-6-morpholin-4-yl-1,3,5-triazine-2-carboximidamide (CID 136821405) is 4-(tert-butylamino)-N'-hydroxy-6-morpholin-4-yl-1,3,5-triazine-2-carboximidamide.
What is the SMILES notation for 4-(tert-butylamino)-N'-hydroxy-6-morpholin-4-yl-1,3,5-triazine-2-carboximidamide?
The canonical SMILES for 4-(tert-butylamino)-N'-hydroxy-6-morpholin-4-yl-1,3,5-triazine-2-carboximidamide is CC(C)(C)Nc1nc(/C(N)=N/O)nc(N2CCOCC2)n1.
What is the InChIKey of 4-(tert-butylamino)-N'-hydroxy-6-morpholin-4-yl-1,3,5-triazine-2-carboximidamide?
The InChIKey is WNWANIDSFKBEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N7O2/c1-12(2,3)17-10-14-9(8(13)18-20)15-11(16-10)19-4-6-21-7-5-19/h20H,4-7H2,1-3H3,(H2,13,18)(H,14,15,16,17).
What are the key properties of 4-(tert-butylamino)-N'-hydroxy-6-morpholin-4-yl-1,3,5-triazine-2-carboximidamide?
4-(tert-butylamino)-N'-hydroxy-6-morpholin-4-yl-1,3,5-triazine-2-carboximidamide has a molecular weight of 295.35 g/mol, XLogP of 0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-N'-hydroxy-6-morpholin-4-yl-1,3,5-triazine-2-carboximidamide is sourced from PubChem (CID 136821405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).