6-N-[fluoro(methoxy)methyl]-2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine

C10H19FN6O6 — CID 87586797

IUPAC6-N-[fluoro(methoxy)methyl]-2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine
SMILESCOC(F)N(OC)c1nc(N(OC)OC)nc(N(OC)OC)n1
InChIInChI=1S/C10H19FN6O6/c1-18-7(11)15(19-2)8-12-9(16(20-3)21-4)14-10(13-8)17(22-5)23-6/h7H,1-6H3
InChIKeyXASAPORXHGENJR-UHFFFAOYSA-N
MW338.30 g/mol
LogP-0.00
Rot. Bonds10

About 6-N-[fluoro(methoxy)methyl]-2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine

6-N-[fluoro(methoxy)methyl]-2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine (PubChem CID 87586797) has the molecular formula C10H19FN6O6 and a molecular weight of 338.30 g/mol. Its IUPAC name is 6-N-[fluoro(methoxy)methyl]-2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[fluoro(methoxy)methyl]-2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine
PubChem CID87586797
Molecular FormulaC10H19FN6O6
Molecular Weight338.30 g/mol
Exact Mass338.14
IUPAC Name6-N-[fluoro(methoxy)methyl]-2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine
SMILESCOC(F)N(OC)c1nc(N(OC)OC)nc(N(OC)OC)n1
InChIInChI=1S/C10H19FN6O6/c1-18-7(11)15(19-2)8-12-9(16(20-3)21-4)14-10(13-8)17(22-5)23-6/h7H,1-6H3
InChIKeyXASAPORXHGENJR-UHFFFAOYSA-N
XLogP-0.00
TPSA103.77 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.30
LogP ≤ 5-0.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 6-N-[fluoro(methoxy)methyl]-2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-N-[fluoro(methoxy)methyl]-2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-[fluoro(methoxy)methyl]-2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine (CID 87586797) is 6-N-[fluoro(methoxy)methyl]-2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-[fluoro(methoxy)methyl]-2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-[fluoro(methoxy)methyl]-2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine is COC(F)N(OC)c1nc(N(OC)OC)nc(N(OC)OC)n1.
What is the InChIKey of 6-N-[fluoro(methoxy)methyl]-2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine?
The InChIKey is XASAPORXHGENJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN6O6/c1-18-7(11)15(19-2)8-12-9(16(20-3)21-4)14-10(13-8)17(22-5)23-6/h7H,1-6H3.
What are the key properties of 6-N-[fluoro(methoxy)methyl]-2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine?
6-N-[fluoro(methoxy)methyl]-2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine has a molecular weight of 338.30 g/mol, XLogP of -0.00, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[fluoro(methoxy)methyl]-2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 87586797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).