N-butyl-4,6-bis(diethoxyphosphoryl)-1,3,5-triazin-2-amine

C15H30N4O6P2 — CID 19438218

IUPACN-butyl-4,6-bis(diethoxyphosphoryl)-1,3,5-triazin-2-amine
SMILESCCCCNc1nc(P(=O)(OCC)OCC)nc(P(=O)(OCC)OCC)n1
InChIInChI=1S/C15H30N4O6P2/c1-6-11-12-16-13-17-14(26(20,22-7-2)23-8-3)19-15(18-13)27(21,24-9-4)25-10-5/h6-12H2,1-5H3,(H,16,17,18,19)
InChIKeyMPQNJSSYXGPFGU-UHFFFAOYSA-N
MW424.38 g/mol
LogP2.87
Rot. Bonds14

About N-butyl-4,6-bis(diethoxyphosphoryl)-1,3,5-triazin-2-amine

N-butyl-4,6-bis(diethoxyphosphoryl)-1,3,5-triazin-2-amine (PubChem CID 19438218) has the molecular formula C15H30N4O6P2 and a molecular weight of 424.38 g/mol. Its IUPAC name is N-butyl-4,6-bis(diethoxyphosphoryl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-butyl-4,6-bis(diethoxyphosphoryl)-1,3,5-triazin-2-amine
PubChem CID19438218
Molecular FormulaC15H30N4O6P2
Molecular Weight424.38 g/mol
Exact Mass424.16
IUPAC NameN-butyl-4,6-bis(diethoxyphosphoryl)-1,3,5-triazin-2-amine
SMILESCCCCNc1nc(P(=O)(OCC)OCC)nc(P(=O)(OCC)OCC)n1
InChIInChI=1S/C15H30N4O6P2/c1-6-11-12-16-13-17-14(26(20,22-7-2)23-8-3)19-15(18-13)27(21,24-9-4)25-10-5/h6-12H2,1-5H3,(H,16,17,18,19)
InChIKeyMPQNJSSYXGPFGU-UHFFFAOYSA-N
XLogP2.87
TPSA121.76 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N-butyl-4,6-bis(diethoxyphosphoryl)-1,3,5-triazin-2-amine 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 N-butyl-4,6-bis(diethoxyphosphoryl)-1,3,5-triazin-2-amine?
The IUPAC name of N-butyl-4,6-bis(diethoxyphosphoryl)-1,3,5-triazin-2-amine (CID 19438218) is N-butyl-4,6-bis(diethoxyphosphoryl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-butyl-4,6-bis(diethoxyphosphoryl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-butyl-4,6-bis(diethoxyphosphoryl)-1,3,5-triazin-2-amine is CCCCNc1nc(P(=O)(OCC)OCC)nc(P(=O)(OCC)OCC)n1.
What is the InChIKey of N-butyl-4,6-bis(diethoxyphosphoryl)-1,3,5-triazin-2-amine?
The InChIKey is MPQNJSSYXGPFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O6P2/c1-6-11-12-16-13-17-14(26(20,22-7-2)23-8-3)19-15(18-13)27(21,24-9-4)25-10-5/h6-12H2,1-5H3,(H,16,17,18,19).
What are the key properties of N-butyl-4,6-bis(diethoxyphosphoryl)-1,3,5-triazin-2-amine?
N-butyl-4,6-bis(diethoxyphosphoryl)-1,3,5-triazin-2-amine has a molecular weight of 424.38 g/mol, XLogP of 2.87, 14 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4,6-bis(diethoxyphosphoryl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 19438218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).