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

C10H16N4O2 — CID 80868459

IUPACN-methyl-4-prop-2-enoxy-6-propoxy-1,3,5-triazin-2-amine
SMILESC=CCOc1nc(NC)nc(OCCC)n1
InChIInChI=1S/C10H16N4O2/c1-4-6-15-9-12-8(11-3)13-10(14-9)16-7-5-2/h4H,1,5-7H2,2-3H3,(H,11,12,13,14)
InChIKeyGVFUYGFALUBOEX-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.27
Rot. Bonds7

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

N-methyl-4-prop-2-enoxy-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 80868459) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-methyl-4-prop-2-enoxy-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-prop-2-enoxy-6-propoxy-1,3,5-triazin-2-amine
PubChem CID80868459
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN-methyl-4-prop-2-enoxy-6-propoxy-1,3,5-triazin-2-amine
SMILESC=CCOc1nc(NC)nc(OCCC)n1
InChIInChI=1S/C10H16N4O2/c1-4-6-15-9-12-8(11-3)13-10(14-9)16-7-5-2/h4H,1,5-7H2,2-3H3,(H,11,12,13,14)
InChIKeyGVFUYGFALUBOEX-UHFFFAOYSA-N
XLogP1.27
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-methyl-4-prop-2-enoxy-6-propoxy-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-prop-2-enoxy-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-prop-2-enoxy-6-propoxy-1,3,5-triazin-2-amine (CID 80868459) is N-methyl-4-prop-2-enoxy-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-prop-2-enoxy-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-prop-2-enoxy-6-propoxy-1,3,5-triazin-2-amine is C=CCOc1nc(NC)nc(OCCC)n1.
What is the InChIKey of N-methyl-4-prop-2-enoxy-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is GVFUYGFALUBOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-4-6-15-9-12-8(11-3)13-10(14-9)16-7-5-2/h4H,1,5-7H2,2-3H3,(H,11,12,13,14).
What are the key properties of N-methyl-4-prop-2-enoxy-6-propoxy-1,3,5-triazin-2-amine?
N-methyl-4-prop-2-enoxy-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 224.26 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-prop-2-enoxy-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80868459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).