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

C12H23N5O2 — CID 80876870

IUPAC2-N,2-N-diethyl-6-(2-propoxyethoxy)-1,3,5-triazine-2,4-diamine
SMILESCCCOCCOc1nc(N)nc(N(CC)CC)n1
InChIInChI=1S/C12H23N5O2/c1-4-7-18-8-9-19-12-15-10(13)14-11(16-12)17(5-2)6-3/h4-9H2,1-3H3,(H2,13,14,15,16)
InChIKeySAWOOEWSIBUQSX-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.11
Rot. Bonds9

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

2-N,2-N-diethyl-6-(2-propoxyethoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 80876870) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-N,2-N-diethyl-6-(2-propoxyethoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-6-(2-propoxyethoxy)-1,3,5-triazine-2,4-diamine
PubChem CID80876870
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC Name2-N,2-N-diethyl-6-(2-propoxyethoxy)-1,3,5-triazine-2,4-diamine
SMILESCCCOCCOc1nc(N)nc(N(CC)CC)n1
InChIInChI=1S/C12H23N5O2/c1-4-7-18-8-9-19-12-15-10(13)14-11(16-12)17(5-2)6-3/h4-9H2,1-3H3,(H2,13,14,15,16)
InChIKeySAWOOEWSIBUQSX-UHFFFAOYSA-N
XLogP1.11
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.11
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-(2-propoxyethoxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-diethyl-6-(2-propoxyethoxy)-1,3,5-triazine-2,4-diamine (CID 80876870) is 2-N,2-N-diethyl-6-(2-propoxyethoxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-6-(2-propoxyethoxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-diethyl-6-(2-propoxyethoxy)-1,3,5-triazine-2,4-diamine is CCCOCCOc1nc(N)nc(N(CC)CC)n1.
What is the InChIKey of 2-N,2-N-diethyl-6-(2-propoxyethoxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is SAWOOEWSIBUQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-4-7-18-8-9-19-12-15-10(13)14-11(16-12)17(5-2)6-3/h4-9H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 2-N,2-N-diethyl-6-(2-propoxyethoxy)-1,3,5-triazine-2,4-diamine?
2-N,2-N-diethyl-6-(2-propoxyethoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 269.35 g/mol, XLogP of 1.11, 9 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-(2-propoxyethoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80876870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).