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

C8H12N4O2 — CID 80868455

IUPAC4-methoxy-N-methyl-6-prop-2-enoxy-1,3,5-triazin-2-amine
SMILESC=CCOc1nc(NC)nc(OC)n1
InChIInChI=1S/C8H12N4O2/c1-4-5-14-8-11-6(9-2)10-7(12-8)13-3/h4H,1,5H2,2-3H3,(H,9,10,11,12)
InChIKeyUIVOYDYUCCASCP-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.49
Rot. Bonds5

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

4-methoxy-N-methyl-6-prop-2-enoxy-1,3,5-triazin-2-amine (PubChem CID 80868455) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-methoxy-N-methyl-6-prop-2-enoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-methyl-6-prop-2-enoxy-1,3,5-triazin-2-amine
PubChem CID80868455
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name4-methoxy-N-methyl-6-prop-2-enoxy-1,3,5-triazin-2-amine
SMILESC=CCOc1nc(NC)nc(OC)n1
InChIInChI=1S/C8H12N4O2/c1-4-5-14-8-11-6(9-2)10-7(12-8)13-3/h4H,1,5H2,2-3H3,(H,9,10,11,12)
InChIKeyUIVOYDYUCCASCP-UHFFFAOYSA-N
XLogP0.49
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-6-prop-2-enoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-N-methyl-6-prop-2-enoxy-1,3,5-triazin-2-amine (CID 80868455) is 4-methoxy-N-methyl-6-prop-2-enoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-N-methyl-6-prop-2-enoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-N-methyl-6-prop-2-enoxy-1,3,5-triazin-2-amine is C=CCOc1nc(NC)nc(OC)n1.
What is the InChIKey of 4-methoxy-N-methyl-6-prop-2-enoxy-1,3,5-triazin-2-amine?
The InChIKey is UIVOYDYUCCASCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-4-5-14-8-11-6(9-2)10-7(12-8)13-3/h4H,1,5H2,2-3H3,(H,9,10,11,12).
What are the key properties of 4-methoxy-N-methyl-6-prop-2-enoxy-1,3,5-triazin-2-amine?
4-methoxy-N-methyl-6-prop-2-enoxy-1,3,5-triazin-2-amine has a molecular weight of 196.21 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-6-prop-2-enoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80868455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).