6-(2-methylprop-2-enoxy)-2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4-diamine

C16H23N5O — CID 89303297

IUPAC6-(2-methylprop-2-enoxy)-2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(OCC(=C)C)nc(N(CC=C)CC=C)n1
InChIInChI=1S/C16H23N5O/c1-6-9-17-14-18-15(21(10-7-2)11-8-3)20-16(19-14)22-12-13(4)5/h6-8H,1-4,9-12H2,5H3,(H,17,18,19,20)
InChIKeyYEYNQSNYAJMVMA-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.60
Rot. Bonds11

About 6-(2-methylprop-2-enoxy)-2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4-diamine

6-(2-methylprop-2-enoxy)-2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4-diamine (PubChem CID 89303297) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 6-(2-methylprop-2-enoxy)-2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-methylprop-2-enoxy)-2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4-diamine
PubChem CID89303297
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name6-(2-methylprop-2-enoxy)-2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(OCC(=C)C)nc(N(CC=C)CC=C)n1
InChIInChI=1S/C16H23N5O/c1-6-9-17-14-18-15(21(10-7-2)11-8-3)20-16(19-14)22-12-13(4)5/h6-8H,1-4,9-12H2,5H3,(H,17,18,19,20)
InChIKeyYEYNQSNYAJMVMA-UHFFFAOYSA-N
XLogP2.60
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.60
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 6-(2-methylprop-2-enoxy)-2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-methylprop-2-enoxy)-2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4-diamine (CID 89303297) is 6-(2-methylprop-2-enoxy)-2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-methylprop-2-enoxy)-2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-methylprop-2-enoxy)-2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4-diamine is C=CCNc1nc(OCC(=C)C)nc(N(CC=C)CC=C)n1.
What is the InChIKey of 6-(2-methylprop-2-enoxy)-2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is YEYNQSNYAJMVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-6-9-17-14-18-15(21(10-7-2)11-8-3)20-16(19-14)22-12-13(4)5/h6-8H,1-4,9-12H2,5H3,(H,17,18,19,20).
What are the key properties of 6-(2-methylprop-2-enoxy)-2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
6-(2-methylprop-2-enoxy)-2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 301.39 g/mol, XLogP of 2.60, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylprop-2-enoxy)-2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 89303297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).