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

C19H27N5O — CID 89303331

IUPAC6-(2-methylprop-2-enoxy)-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCN(CC=C)c1nc(OCC(=C)C)nc(N(CC=C)CC=C)n1
InChIInChI=1S/C19H27N5O/c1-7-11-23(12-8-2)17-20-18(24(13-9-3)14-10-4)22-19(21-17)25-15-16(5)6/h7-10H,1-5,11-15H2,6H3
InChIKeyBDQIKBQEMZKHJZ-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.18
Rot. Bonds13

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

6-(2-methylprop-2-enoxy)-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4-diamine (PubChem CID 89303331) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 6-(2-methylprop-2-enoxy)-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-methylprop-2-enoxy)-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
PubChem CID89303331
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name6-(2-methylprop-2-enoxy)-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCN(CC=C)c1nc(OCC(=C)C)nc(N(CC=C)CC=C)n1
InChIInChI=1S/C19H27N5O/c1-7-11-23(12-8-2)17-20-18(24(13-9-3)14-10-4)22-19(21-17)25-15-16(5)6/h7-10H,1-5,11-15H2,6H3
InChIKeyBDQIKBQEMZKHJZ-UHFFFAOYSA-N
XLogP3.18
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.18
H-Bond Donors ≤ 50
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,4-N-tetrakis(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,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4-diamine (CID 89303331) is 6-(2-methylprop-2-enoxy)-2-N,2-N,4-N,4-N-tetrakis(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,4-N-tetrakis(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,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4-diamine is C=CCN(CC=C)c1nc(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,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is BDQIKBQEMZKHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-7-11-23(12-8-2)17-20-18(24(13-9-3)14-10-4)22-19(21-17)25-15-16(5)6/h7-10H,1-5,11-15H2,6H3.
What are the key properties of 6-(2-methylprop-2-enoxy)-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
6-(2-methylprop-2-enoxy)-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 341.46 g/mol, XLogP of 3.18, 13 rotatable bonds, 0 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,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 89303331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).