N-methyl-4,6-bis(prop-2-enoxy)-N-prop-2-enyl-1,3,5-triazin-2-amine

C13H18N4O2 — CID 89303278

IUPACN-methyl-4,6-bis(prop-2-enoxy)-N-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCOc1nc(OCC=C)nc(N(C)CC=C)n1
InChIInChI=1S/C13H18N4O2/c1-5-8-17(4)11-14-12(18-9-6-2)16-13(15-11)19-10-7-3/h5-7H,1-3,8-10H2,4H3
InChIKeyZHTKTBHRFPHSER-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.62
Rot. Bonds9

About N-methyl-4,6-bis(prop-2-enoxy)-N-prop-2-enyl-1,3,5-triazin-2-amine

N-methyl-4,6-bis(prop-2-enoxy)-N-prop-2-enyl-1,3,5-triazin-2-amine (PubChem CID 89303278) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-methyl-4,6-bis(prop-2-enoxy)-N-prop-2-enyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4,6-bis(prop-2-enoxy)-N-prop-2-enyl-1,3,5-triazin-2-amine
PubChem CID89303278
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-methyl-4,6-bis(prop-2-enoxy)-N-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCOc1nc(OCC=C)nc(N(C)CC=C)n1
InChIInChI=1S/C13H18N4O2/c1-5-8-17(4)11-14-12(18-9-6-2)16-13(15-11)19-10-7-3/h5-7H,1-3,8-10H2,4H3
InChIKeyZHTKTBHRFPHSER-UHFFFAOYSA-N
XLogP1.62
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-methyl-4,6-bis(prop-2-enoxy)-N-prop-2-enyl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

Cambridge id 6807868
CID 35116
6-(allyloxy)-N,N,N',N'-tetramethyl-1,3,5-triazine-2,4-diamine
CID 1819021
6-(allyloxy)-N~2~,N~4~-diisopropyl-1,3,5-triazine-2,4-diamine
CID 6618995
4-Allyloxy-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine
CID 610855
6-(allyloxy)-N'-ethyl-N,N-dimethyl-1,3,5-triazine-2,4-diamine
CID 2055870
4-(allyloxy)-N,N-dimethyl-6-(4-morpholinyl)-1,3,5-triazin-2-amine
CID 2187729
2,4-Diallylamino-6-allyloxy-sym-triazine
CID 89303317
4,6-Bis(allyloxy)-N-butyl-1,3,5-triazin-2-amine
CID 104663
1,3,5-Triazine, 2-allylamino-4-ethoxy-6-dimethylamino-
CID 602118
2-Allyloxy-4-ethoxy-6-piperidin-1-yl-[1,3,5]triazine
CID 3286572
6-allyloxy-4-azido-N,N-dimethyl-1,3,5-triazin-2-amine
CID 129873337
2,2'-((4,6-Bis(allyloxy)-1,3,5-triazin-2-yl)imino)bisethanol
CID 53422711

Frequently Asked Questions

What is the IUPAC name of N-methyl-4,6-bis(prop-2-enoxy)-N-prop-2-enyl-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4,6-bis(prop-2-enoxy)-N-prop-2-enyl-1,3,5-triazin-2-amine (CID 89303278) is N-methyl-4,6-bis(prop-2-enoxy)-N-prop-2-enyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4,6-bis(prop-2-enoxy)-N-prop-2-enyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4,6-bis(prop-2-enoxy)-N-prop-2-enyl-1,3,5-triazin-2-amine is C=CCOc1nc(OCC=C)nc(N(C)CC=C)n1.
What is the InChIKey of N-methyl-4,6-bis(prop-2-enoxy)-N-prop-2-enyl-1,3,5-triazin-2-amine?
The InChIKey is ZHTKTBHRFPHSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-5-8-17(4)11-14-12(18-9-6-2)16-13(15-11)19-10-7-3/h5-7H,1-3,8-10H2,4H3.
What are the key properties of N-methyl-4,6-bis(prop-2-enoxy)-N-prop-2-enyl-1,3,5-triazin-2-amine?
N-methyl-4,6-bis(prop-2-enoxy)-N-prop-2-enyl-1,3,5-triazin-2-amine has a molecular weight of 262.31 g/mol, XLogP of 1.62, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4,6-bis(prop-2-enoxy)-N-prop-2-enyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 89303278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).