1-(dimethylamino)-2-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)guanidine

C8H15N7O — CID 56636144

IUPAC1-(dimethylamino)-2-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)guanidine
SMILESCOc1nc(C)nc(N=C(N)NN(C)C)n1
InChIInChI=1S/C8H15N7O/c1-5-10-7(13-8(11-5)16-4)12-6(9)14-15(2)3/h1-4H3,(H3,9,10,11,12,13,14)
InChIKeyNMJWMBRQXKEARS-UHFFFAOYSA-N
MW225.26 g/mol
LogP-0.80
Rot. Bonds3

About 1-(dimethylamino)-2-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)guanidine

1-(dimethylamino)-2-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)guanidine (PubChem CID 56636144) has the molecular formula C8H15N7O and a molecular weight of 225.26 g/mol. Its IUPAC name is 1-(dimethylamino)-2-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)guanidine.

Molecular Properties

Compound Name1-(dimethylamino)-2-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)guanidine
PubChem CID56636144
Molecular FormulaC8H15N7O
Molecular Weight225.26 g/mol
Exact Mass225.13
IUPAC Name1-(dimethylamino)-2-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)guanidine
SMILESCOc1nc(C)nc(N=C(N)NN(C)C)n1
InChIInChI=1S/C8H15N7O/c1-5-10-7(13-8(11-5)16-4)12-6(9)14-15(2)3/h1-4H3,(H3,9,10,11,12,13,14)
InChIKeyNMJWMBRQXKEARS-UHFFFAOYSA-N
XLogP-0.80
TPSA101.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)guanidine?
The IUPAC name of 1-(dimethylamino)-2-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)guanidine (CID 56636144) is 1-(dimethylamino)-2-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)guanidine.
What is the SMILES notation for 1-(dimethylamino)-2-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)guanidine?
The canonical SMILES for 1-(dimethylamino)-2-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)guanidine is COc1nc(C)nc(N=C(N)NN(C)C)n1.
What is the InChIKey of 1-(dimethylamino)-2-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)guanidine?
The InChIKey is NMJWMBRQXKEARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N7O/c1-5-10-7(13-8(11-5)16-4)12-6(9)14-15(2)3/h1-4H3,(H3,9,10,11,12,13,14).
What are the key properties of 1-(dimethylamino)-2-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)guanidine?
1-(dimethylamino)-2-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)guanidine has a molecular weight of 225.26 g/mol, XLogP of -0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)guanidine is sourced from PubChem (CID 56636144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).