4-N-ethyl-2-N,2-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine

C10H17N5O — CID 2055870

IUPAC4-N-ethyl-2-N,2-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
SMILESC=CCOc1nc(NCC)nc(N(C)C)n1
InChIInChI=1S/C10H17N5O/c1-5-7-16-10-13-8(11-6-2)12-9(14-10)15(3)4/h5H,1,6-7H2,2-4H3,(H,11,12,13,14)
InChIKeyYLPXTWZBVCWCDF-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.93
Rot. Bonds6

About 4-N-ethyl-2-N,2-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine

4-N-ethyl-2-N,2-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine (PubChem CID 2055870) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-N-ethyl-2-N,2-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N,2-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
PubChem CID2055870
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name4-N-ethyl-2-N,2-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
SMILESC=CCOc1nc(NCC)nc(N(C)C)n1
InChIInChI=1S/C10H17N5O/c1-5-7-16-10-13-8(11-6-2)12-9(14-10)15(3)4/h5H,1,6-7H2,2-4H3,(H,11,12,13,14)
InChIKeyYLPXTWZBVCWCDF-UHFFFAOYSA-N
XLogP0.93
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-N-ethyl-2-N,2-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

Cambridge id 6807868
CID 35116
6-(allyloxy)-N,N,N',N'-tetramethyl-1,3,5-triazine-2,4-diamine
CID 1819021
6-(allyloxy)-N~2~,N~4~-diisopropyl-1,3,5-triazine-2,4-diamine
CID 6618995
Cambridge id 5304492
CID 2056339
2,4-Diallylamino-6-allyloxy-sym-triazine
CID 89303317
2,4-Bis(allylamino)-6-butoxy-s-triazine
CID 459157
4,6-Bis(allyloxy)-N-butyl-1,3,5-triazin-2-amine
CID 104663
N-Octadecyl-4,6-bis(allyloxy)-1,3,5-triazin-2-amine
CID 6452406
4,6-Diallyloxy-N-octyl-1,3,5-triazin-2-amine
CID 16205625
1,3,5-Triazine, 2-allylamino-4-ethoxy-6-dimethylamino-
CID 602118
2-((4,6-Bis(allyloxy)-1,3,5-triazin-2-yl)amino)ethanol
CID 6453153
N~2~-allyl-N~4~-(tert-butyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 4287366

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N,2-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N,2-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine (CID 2055870) is 4-N-ethyl-2-N,2-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N,2-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N,2-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine is C=CCOc1nc(NCC)nc(N(C)C)n1.
What is the InChIKey of 4-N-ethyl-2-N,2-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is YLPXTWZBVCWCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-5-7-16-10-13-8(11-6-2)12-9(14-10)15(3)4/h5H,1,6-7H2,2-4H3,(H,11,12,13,14).
What are the key properties of 4-N-ethyl-2-N,2-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine?
4-N-ethyl-2-N,2-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 223.28 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N,2-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 2055870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).