4-(dinitromethyl)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine

C7H10N6O5 — CID 125485936

IUPAC4-(dinitromethyl)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCOc1nc(C([N+](=O)[O-])[N+](=O)[O-])nc(N(C)C)n1
InChIInChI=1S/C7H10N6O5/c1-11(2)6-8-4(9-7(10-6)18-3)5(12(14)15)13(16)17/h5H,1-3H3
InChIKeySKRDSDSTERNCOR-UHFFFAOYSA-N
MW258.19 g/mol
LogP-0.50
Rot. Bonds5

About 4-(dinitromethyl)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine

4-(dinitromethyl)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 125485936) has the molecular formula C7H10N6O5 and a molecular weight of 258.19 g/mol. Its IUPAC name is 4-(dinitromethyl)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(dinitromethyl)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID125485936
Molecular FormulaC7H10N6O5
Molecular Weight258.19 g/mol
Exact Mass258.07
IUPAC Name4-(dinitromethyl)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCOc1nc(C([N+](=O)[O-])[N+](=O)[O-])nc(N(C)C)n1
InChIInChI=1S/C7H10N6O5/c1-11(2)6-8-4(9-7(10-6)18-3)5(12(14)15)13(16)17/h5H,1-3H3
InChIKeySKRDSDSTERNCOR-UHFFFAOYSA-N
XLogP-0.50
TPSA137.42 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Dimethylamino-4-methoxy-6-fluorodinitromethyl-1,3,5-triazine
CID 12064091
2,4-Dimethoxy-6-trinitromethyl-1,3,5-triazine
CID 15184522
2,4,6-Tris(nitromethyl)-1,3,5-triazine
CID 100931689
2,4-Bis(dimethylamino)-6-trinitromethyl-1,3,5-triazine
CID 12062842
2-Dimethylamino-6-methoxy-4-trinitromethyl-1,3,5-triazine
CID 12062843
4-Azido-2-diethylamino-6-trinitromethyl-1,3,5-triazine
CID 12190339
Potassium 2-(dinitromethyl)-4,6-dimethoxy-1,3,5-triazine
CID 15445407
2-Piperidinyl-4-methoxy-6-dinitromethyl-1,3,5-triazine
CID 125485716
2,4-Dimethoxy-6-dinitromethyl-1,3,5-triazine
CID 129735523
Dinitro(nitroso)methyl-1,3,5-triazine
CID 129740417
2-Methoxy-4-amino-6-dinitromethyl-1,3,5-triazine
CID 129744576
Water 2-methoxy-4-amino-6-dinitromethyl-1,3,5-triazine
CID 129744777

Frequently Asked Questions

What is the IUPAC name of 4-(dinitromethyl)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(dinitromethyl)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine (CID 125485936) is 4-(dinitromethyl)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(dinitromethyl)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(dinitromethyl)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine is COc1nc(C([N+](=O)[O-])[N+](=O)[O-])nc(N(C)C)n1.
What is the InChIKey of 4-(dinitromethyl)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is SKRDSDSTERNCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O5/c1-11(2)6-8-4(9-7(10-6)18-3)5(12(14)15)13(16)17/h5H,1-3H3.
What are the key properties of 4-(dinitromethyl)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine?
4-(dinitromethyl)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 258.19 g/mol, XLogP of -0.50, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dinitromethyl)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 125485936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).