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

C13H19N5O — CID 89303268

IUPAC6-(2-methylprop-2-enoxy)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCC=C)nc(OCC(=C)C)n1
InChIInChI=1S/C13H19N5O/c1-5-7-14-11-16-12(15-8-6-2)18-13(17-11)19-9-10(3)4/h5-6H,1-3,7-9H2,4H3,(H2,14,15,16,17,18)
InChIKeyHPMBSJIGCIAZLI-UHFFFAOYSA-N
MW261.33 g/mol
LogP2.02
Rot. Bonds9

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

6-(2-methylprop-2-enoxy)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine (PubChem CID 89303268) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 6-(2-methylprop-2-enoxy)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-methylprop-2-enoxy)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
PubChem CID89303268
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name6-(2-methylprop-2-enoxy)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCC=C)nc(OCC(=C)C)n1
InChIInChI=1S/C13H19N5O/c1-5-7-14-11-16-12(15-8-6-2)18-13(17-11)19-9-10(3)4/h5-6H,1-3,7-9H2,4H3,(H2,14,15,16,17,18)
InChIKeyHPMBSJIGCIAZLI-UHFFFAOYSA-N
XLogP2.02
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(2-methylprop-2-enoxy)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4,6-Dimethoxy-N-2-propen-1-yl-1,3,5-triazin-2-amine
CID 2056933
N,N'-diethyl-6-(prop-2-en-1-yloxy)-1,3,5-triazine-2,4-diamine
CID 35116
6-(allyloxy)-N~2~,N~4~-diisopropyl-1,3,5-triazine-2,4-diamine
CID 6618995
Cambridge id 5304492
CID 2056339
N4-Ethyl-N2,N2-dimethyl-6-(prop-2-EN-1-yloxy)-1,3,5-triazine-2,4-diamine
CID 2055870
2,4-Diallylamino-6-allyloxy-sym-triazine
CID 89303317
4,6-Bis(allyloxy)-N-butyl-1,3,5-triazin-2-amine
CID 104663
2,4-Bis(allylamino)-6-butoxy-s-triazine
CID 459157
1,3,5-Triazine, 2-allylamino-4-ethoxy-6-dimethylamino-
CID 602118
2-((4,6-Bis(allyloxy)-1,3,5-triazin-2-yl)amino)ethanol
CID 6453153
N~2~-allyl-N~4~-(tert-butyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 4287366
4-chloro-6-prop-2-enoxy-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 20463

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylprop-2-enoxy)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-methylprop-2-enoxy)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine (CID 89303268) is 6-(2-methylprop-2-enoxy)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-methylprop-2-enoxy)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-methylprop-2-enoxy)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine is C=CCNc1nc(NCC=C)nc(OCC(=C)C)n1.
What is the InChIKey of 6-(2-methylprop-2-enoxy)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is HPMBSJIGCIAZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-5-7-14-11-16-12(15-8-6-2)18-13(17-11)19-9-10(3)4/h5-6H,1-3,7-9H2,4H3,(H2,14,15,16,17,18).
What are the key properties of 6-(2-methylprop-2-enoxy)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
6-(2-methylprop-2-enoxy)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 261.33 g/mol, XLogP of 2.02, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylprop-2-enoxy)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 89303268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).