4,6-dimorpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine

C14H22N6O2 — CID 627850

IUPAC4,6-dimorpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCNc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C14H22N6O2/c1-2-3-15-12-16-13(19-4-8-21-9-5-19)18-14(17-12)20-6-10-22-11-7-20/h2H,1,3-11H2,(H,15,16,17,18)
InChIKeyMTKNDJWEGOPQOR-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.14
Rot. Bonds5

About 4,6-dimorpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine

4,6-dimorpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine (PubChem CID 627850) has the molecular formula C14H22N6O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4,6-dimorpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dimorpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine
PubChem CID627850
Molecular FormulaC14H22N6O2
Molecular Weight306.37 g/mol
Exact Mass306.18
IUPAC Name4,6-dimorpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCNc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C14H22N6O2/c1-2-3-15-12-16-13(19-4-8-21-9-5-19)18-14(17-12)20-6-10-22-11-7-20/h2H,1,3-11H2,(H,15,16,17,18)
InChIKeyMTKNDJWEGOPQOR-UHFFFAOYSA-N
XLogP0.14
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 4,6-dimorpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dimorpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine (CID 627850) is 4,6-dimorpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dimorpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dimorpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine is C=CCNc1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4,6-dimorpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine?
The InChIKey is MTKNDJWEGOPQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O2/c1-2-3-15-12-16-13(19-4-8-21-9-5-19)18-14(17-12)20-6-10-22-11-7-20/h2H,1,3-11H2,(H,15,16,17,18).
What are the key properties of 4,6-dimorpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine?
4,6-dimorpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine has a molecular weight of 306.37 g/mol, XLogP of 0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimorpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 627850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).