2-N,2-N,4-N,6-N-tetramethoxy-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine

C9H18N6O4 — CID 58363766

IUPAC2-N,2-N,4-N,6-N-tetramethoxy-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCON(C)c1nc(N(C)OC)nc(N(OC)OC)n1
InChIInChI=1S/C9H18N6O4/c1-13(16-3)7-10-8(14(2)17-4)12-9(11-7)15(18-5)19-6/h1-6H3
InChIKeyTWBDNDHVTFCTRA-UHFFFAOYSA-N
MW274.28 g/mol
LogP-0.20
Rot. Bonds7

About 2-N,2-N,4-N,6-N-tetramethoxy-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine

2-N,2-N,4-N,6-N-tetramethoxy-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 58363766) has the molecular formula C9H18N6O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-N,2-N,4-N,6-N-tetramethoxy-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N,4-N,6-N-tetramethoxy-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID58363766
Molecular FormulaC9H18N6O4
Molecular Weight274.28 g/mol
Exact Mass274.14
IUPAC Name2-N,2-N,4-N,6-N-tetramethoxy-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCON(C)c1nc(N(C)OC)nc(N(OC)OC)n1
InChIInChI=1S/C9H18N6O4/c1-13(16-3)7-10-8(14(2)17-4)12-9(11-7)15(18-5)19-6/h1-6H3
InChIKeyTWBDNDHVTFCTRA-UHFFFAOYSA-N
XLogP-0.20
TPSA85.31 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N,6-N-tetramethoxy-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N,4-N,6-N-tetramethoxy-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine (CID 58363766) is 2-N,2-N,4-N,6-N-tetramethoxy-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N,4-N,6-N-tetramethoxy-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N,4-N,6-N-tetramethoxy-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine is CON(C)c1nc(N(C)OC)nc(N(OC)OC)n1.
What is the InChIKey of 2-N,2-N,4-N,6-N-tetramethoxy-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is TWBDNDHVTFCTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6O4/c1-13(16-3)7-10-8(14(2)17-4)12-9(11-7)15(18-5)19-6/h1-6H3.
What are the key properties of 2-N,2-N,4-N,6-N-tetramethoxy-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
2-N,2-N,4-N,6-N-tetramethoxy-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 274.28 g/mol, XLogP of -0.20, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N,6-N-tetramethoxy-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 58363766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).