N-ethyl-4-methoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine

C9H14N4O2 — CID 80868544

IUPACN-ethyl-4-methoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine
SMILESC=CCOc1nc(NCC)nc(OC)n1
InChIInChI=1S/C9H14N4O2/c1-4-6-15-9-12-7(10-5-2)11-8(13-9)14-3/h4H,1,5-6H2,2-3H3,(H,10,11,12,13)
InChIKeyYPUJSXUPLKGOCP-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.88
Rot. Bonds6

About N-ethyl-4-methoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine

N-ethyl-4-methoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine (PubChem CID 80868544) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-ethyl-4-methoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine
PubChem CID80868544
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC NameN-ethyl-4-methoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine
SMILESC=CCOc1nc(NCC)nc(OC)n1
InChIInChI=1S/C9H14N4O2/c1-4-6-15-9-12-7(10-5-2)11-8(13-9)14-3/h4H,1,5-6H2,2-3H3,(H,10,11,12,13)
InChIKeyYPUJSXUPLKGOCP-UHFFFAOYSA-N
XLogP0.88
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(dimethylamino)ethoxy]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 80871890
N-ethyl-4-methoxy-6-(3-methylbutoxy)-1,3,5-triazin-2-amine
CID 80858244
3-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]propan-1-ol
CID 80866003
4-but-3-enoxy-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80861162
N-ethyl-4-methoxy-6-(3-methoxy-3-methylbutoxy)-1,3,5-triazin-2-amine
CID 106669087
4-but-3-enoxy-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80862211
4-chloro-6-prop-2-enoxy-N-propyl-1,3,5-triazin-2-amine
CID 80867945
N-ethyl-4-methoxy-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-1,3,5-triazin-2-amine
CID 80867873
1-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol
CID 80841768
4-N-ethyl-6-methoxy-2-N-pentyl-1,3,5-triazine-2,4-diamine
CID 80786527
4-N-ethyl-6-methoxy-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 80768361
N-ethyl-4-methoxy-6-(2-thiophen-2-ylethoxy)-1,3,5-triazin-2-amine
CID 80873852

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-methoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine (CID 80868544) is N-ethyl-4-methoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-methoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-methoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine is C=CCOc1nc(NCC)nc(OC)n1.
What is the InChIKey of N-ethyl-4-methoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine?
The InChIKey is YPUJSXUPLKGOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-4-6-15-9-12-7(10-5-2)11-8(13-9)14-3/h4H,1,5-6H2,2-3H3,(H,10,11,12,13).
What are the key properties of N-ethyl-4-methoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine?
N-ethyl-4-methoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine has a molecular weight of 210.24 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80868544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).