2-N,2-N-diethyl-6-(3-methoxypropoxy)-1,3,5-triazine-2,4-diamine

C11H21N5O2 — CID 80865247

IUPAC2-N,2-N-diethyl-6-(3-methoxypropoxy)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N)nc(OCCCOC)n1
InChIInChI=1S/C11H21N5O2/c1-4-16(5-2)10-13-9(12)14-11(15-10)18-8-6-7-17-3/h4-8H2,1-3H3,(H2,12,13,14,15)
InChIKeyPBKVVNLBKWZMLT-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.72
Rot. Bonds8

About 2-N,2-N-diethyl-6-(3-methoxypropoxy)-1,3,5-triazine-2,4-diamine

2-N,2-N-diethyl-6-(3-methoxypropoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 80865247) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-N,2-N-diethyl-6-(3-methoxypropoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-6-(3-methoxypropoxy)-1,3,5-triazine-2,4-diamine
PubChem CID80865247
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Name2-N,2-N-diethyl-6-(3-methoxypropoxy)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N)nc(OCCCOC)n1
InChIInChI=1S/C11H21N5O2/c1-4-16(5-2)10-13-9(12)14-11(15-10)18-8-6-7-17-3/h4-8H2,1-3H3,(H2,12,13,14,15)
InChIKeyPBKVVNLBKWZMLT-UHFFFAOYSA-N
XLogP0.72
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-6-(3-methoxypropoxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-diethyl-6-(3-methoxypropoxy)-1,3,5-triazine-2,4-diamine (CID 80865247) is 2-N,2-N-diethyl-6-(3-methoxypropoxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-6-(3-methoxypropoxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-diethyl-6-(3-methoxypropoxy)-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(N)nc(OCCCOC)n1.
What is the InChIKey of 2-N,2-N-diethyl-6-(3-methoxypropoxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is PBKVVNLBKWZMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-4-16(5-2)10-13-9(12)14-11(15-10)18-8-6-7-17-3/h4-8H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 2-N,2-N-diethyl-6-(3-methoxypropoxy)-1,3,5-triazine-2,4-diamine?
2-N,2-N-diethyl-6-(3-methoxypropoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 255.32 g/mol, XLogP of 0.72, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-6-(3-methoxypropoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80865247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).