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

C13H19N5O — CID 89303301

IUPAC2-N-methyl-6-prop-2-enoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(OCC=C)nc(N(C)CC=C)n1
InChIInChI=1S/C13H19N5O/c1-5-8-14-11-15-12(18(4)9-6-2)17-13(16-11)19-10-7-3/h5-7H,1-3,8-10H2,4H3,(H,14,15,16,17)
InChIKeyHZSXFOCHPOGLDT-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.66
Rot. Bonds9

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

2-N-methyl-6-prop-2-enoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine (PubChem CID 89303301) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-N-methyl-6-prop-2-enoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-6-prop-2-enoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
PubChem CID89303301
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-N-methyl-6-prop-2-enoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(OCC=C)nc(N(C)CC=C)n1
InChIInChI=1S/C13H19N5O/c1-5-8-14-11-15-12(18(4)9-6-2)17-13(16-11)19-10-7-3/h5-7H,1-3,8-10H2,4H3,(H,14,15,16,17)
InChIKeyHZSXFOCHPOGLDT-UHFFFAOYSA-N
XLogP1.66
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.66
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 2-N-methyl-6-prop-2-enoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-methyl-6-prop-2-enoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine (CID 89303301) is 2-N-methyl-6-prop-2-enoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-6-prop-2-enoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-methyl-6-prop-2-enoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine is C=CCNc1nc(OCC=C)nc(N(C)CC=C)n1.
What is the InChIKey of 2-N-methyl-6-prop-2-enoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is HZSXFOCHPOGLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-5-8-14-11-15-12(18(4)9-6-2)17-13(16-11)19-10-7-3/h5-7H,1-3,8-10H2,4H3,(H,14,15,16,17).
What are the key properties of 2-N-methyl-6-prop-2-enoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
2-N-methyl-6-prop-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 1.66, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-6-prop-2-enoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 89303301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).