2-(1,6-dimethoxy-2H-1,3,5-triazin-4-yl)-1-methoxyguanidine

C7H14N6O3 — CID 173410417

IUPAC2-(1,6-dimethoxy-2H-1,3,5-triazin-4-yl)-1-methoxyguanidine
SMILESCONC(N)=NC1=NCN(OC)C(OC)=N1
InChIInChI=1S/C7H14N6O3/c1-14-7-11-6(9-4-13(7)16-3)10-5(8)12-15-2/h4H2,1-3H3,(H3,8,9,10,12)
InChIKeyANWULRGYXIHPOO-UHFFFAOYSA-N
MW230.23 g/mol
LogP-1.36
Rot. Bonds2

About 2-(1,6-dimethoxy-2H-1,3,5-triazin-4-yl)-1-methoxyguanidine

2-(1,6-dimethoxy-2H-1,3,5-triazin-4-yl)-1-methoxyguanidine (PubChem CID 173410417) has the molecular formula C7H14N6O3 and a molecular weight of 230.23 g/mol. Its IUPAC name is 2-(1,6-dimethoxy-2H-1,3,5-triazin-4-yl)-1-methoxyguanidine.

Molecular Properties

Compound Name2-(1,6-dimethoxy-2H-1,3,5-triazin-4-yl)-1-methoxyguanidine
PubChem CID173410417
Molecular FormulaC7H14N6O3
Molecular Weight230.23 g/mol
Exact Mass230.11
IUPAC Name2-(1,6-dimethoxy-2H-1,3,5-triazin-4-yl)-1-methoxyguanidine
SMILESCONC(N)=NC1=NCN(OC)C(OC)=N1
InChIInChI=1S/C7H14N6O3/c1-14-7-11-6(9-4-13(7)16-3)10-5(8)12-15-2/h4H2,1-3H3,(H3,8,9,10,12)
InChIKeyANWULRGYXIHPOO-UHFFFAOYSA-N
XLogP-1.36
TPSA106.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 5-1.36
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-methoxyguanidine
CID 19911828
2-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-1-methoxyguanidine
CID 18523914
2-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-1-methoxyguanidine
CID 54217341
2-[7-[[amino-(methoxyamino)methylidene]amino]-9H-fluoren-2-yl]-1-methoxyguanidine
CID 11244715
2-cyclopentyl-1-methoxyguanidine
CID 130567773
ethane;1-methoxy-2-(4-methylpentyl)guanidine
CID 142431870
2-[4-(2-aminoethyl)phenyl]-1-methoxyguanidine;dihydrochloride
CID 18621832
1-(dimethylamino)-2-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)guanidine
CID 56636144
2-[(6-chloro-3-pyridinyl)methyl]-1-methoxyguanidine
CID 143232776
(2R)-N-methoxy-1-methylpyrrolidine-2-carboxamide
CID 87416878
methyl N'-cyanocarbamimidate
CID 15646036
2-[3-(diethylamino)propyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111025337

Frequently Asked Questions

What is the IUPAC name of 2-(1,6-dimethoxy-2H-1,3,5-triazin-4-yl)-1-methoxyguanidine?
The IUPAC name of 2-(1,6-dimethoxy-2H-1,3,5-triazin-4-yl)-1-methoxyguanidine (CID 173410417) is 2-(1,6-dimethoxy-2H-1,3,5-triazin-4-yl)-1-methoxyguanidine.
What is the SMILES notation for 2-(1,6-dimethoxy-2H-1,3,5-triazin-4-yl)-1-methoxyguanidine?
The canonical SMILES for 2-(1,6-dimethoxy-2H-1,3,5-triazin-4-yl)-1-methoxyguanidine is CONC(N)=NC1=NCN(OC)C(OC)=N1.
What is the InChIKey of 2-(1,6-dimethoxy-2H-1,3,5-triazin-4-yl)-1-methoxyguanidine?
The InChIKey is ANWULRGYXIHPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6O3/c1-14-7-11-6(9-4-13(7)16-3)10-5(8)12-15-2/h4H2,1-3H3,(H3,8,9,10,12).
What are the key properties of 2-(1,6-dimethoxy-2H-1,3,5-triazin-4-yl)-1-methoxyguanidine?
2-(1,6-dimethoxy-2H-1,3,5-triazin-4-yl)-1-methoxyguanidine has a molecular weight of 230.23 g/mol, XLogP of -1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,6-dimethoxy-2H-1,3,5-triazin-4-yl)-1-methoxyguanidine is sourced from PubChem (CID 173410417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).