3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-methylamino]benzenecarboximidamide

C13H16N6O2 — CID 62971388

IUPAC3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(N(C)c2nc(OC)nc(OC)n2)c1
InChIInChI=1S/C13H16N6O2/c1-19(9-6-4-5-8(7-9)10(14)15)11-16-12(20-2)18-13(17-11)21-3/h4-7H,1-3H3,(H3,14,15)
InChIKeyVTHMCBAXLKXKBF-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.94
Rot. Bonds5

About 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-methylamino]benzenecarboximidamide

3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-methylamino]benzenecarboximidamide (PubChem CID 62971388) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-methylamino]benzenecarboximidamide.

Molecular Properties

Compound Name3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-methylamino]benzenecarboximidamide
PubChem CID62971388
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(N(C)c2nc(OC)nc(OC)n2)c1
InChIInChI=1S/C13H16N6O2/c1-19(9-6-4-5-8(7-9)10(14)15)11-16-12(20-2)18-13(17-11)21-3/h4-7H,1-3H3,(H3,14,15)
InChIKeyVTHMCBAXLKXKBF-UHFFFAOYSA-N
XLogP0.94
TPSA110.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[methyl-(3-methyl-2-pyridinyl)amino]benzenecarboximidamide
CID 62971035
3-[(5-bromo-2-pyridinyl)-methylamino]benzenecarboximidamide
CID 55137507
3-[methyl(propyl)amino]benzenecarboximidamide
CID 62970999
3-[(6-ethylpyrimidin-4-yl)-methylamino]benzenecarboximidamide
CID 62970344
3-[2-fluoroethyl(methyl)amino]benzenecarboximidamide
CID 80696188
4-(3-carbamimidoyl-N-methylanilino)-N-methylpyridine-2-carboxamide
CID 62969464
3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(methyl)amino]benzenecarboximidamide
CID 62971559
methyl N-[(3-carbamimidoylphenyl)-methylsulfamoyl]carbamate
CID 114467313
3-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]benzenecarboximidamide
CID 112589680
3-[(3,5-dimethylphenyl)methyl-methylamino]benzenecarboximidamide
CID 62971701
3-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 62971177
3-[methyl(nonyl)amino]benzenecarboximidamide
CID 63525360

Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-methylamino]benzenecarboximidamide?
The IUPAC name of 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-methylamino]benzenecarboximidamide (CID 62971388) is 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-methylamino]benzenecarboximidamide.
What is the SMILES notation for 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-methylamino]benzenecarboximidamide?
The canonical SMILES for 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-methylamino]benzenecarboximidamide is [H]/N=C(\N)c1cccc(N(C)c2nc(OC)nc(OC)n2)c1.
What is the InChIKey of 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-methylamino]benzenecarboximidamide?
The InChIKey is VTHMCBAXLKXKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c1-19(9-6-4-5-8(7-9)10(14)15)11-16-12(20-2)18-13(17-11)21-3/h4-7H,1-3H3,(H3,14,15).
What are the key properties of 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-methylamino]benzenecarboximidamide?
3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-methylamino]benzenecarboximidamide has a molecular weight of 288.31 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-methylamino]benzenecarboximidamide is sourced from PubChem (CID 62971388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).