6-methoxy-4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine

C13H22N6O2 — CID 644524

IUPAC6-methoxy-4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCCN2CCOCC2)nc(OC)n1
InChIInChI=1S/C13H22N6O2/c1-3-4-14-11-16-12(18-13(17-11)20-2)15-5-6-19-7-9-21-10-8-19/h3H,1,4-10H2,2H3,(H2,14,15,16,17,18)
InChIKeyJVQFUYKUJPSVSH-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.22
Rot. Bonds8

About 6-methoxy-4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine

6-methoxy-4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (PubChem CID 644524) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 6-methoxy-4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
PubChem CID644524
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC Name6-methoxy-4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCCN2CCOCC2)nc(OC)n1
InChIInChI=1S/C13H22N6O2/c1-3-4-14-11-16-12(18-13(17-11)20-2)15-5-6-19-7-9-21-10-8-19/h3H,1,4-10H2,2H3,(H2,14,15,16,17,18)
InChIKeyJVQFUYKUJPSVSH-UHFFFAOYSA-N
XLogP0.22
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.22
H-Bond Donors ≤ 52
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 6-methoxy-4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methoxy-4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (CID 644524) is 6-methoxy-4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methoxy-4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methoxy-4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is C=CCNc1nc(NCCN2CCOCC2)nc(OC)n1.
What is the InChIKey of 6-methoxy-4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The InChIKey is JVQFUYKUJPSVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O2/c1-3-4-14-11-16-12(18-13(17-11)20-2)15-5-6-19-7-9-21-10-8-19/h3H,1,4-10H2,2H3,(H2,14,15,16,17,18).
What are the key properties of 6-methoxy-4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
6-methoxy-4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine has a molecular weight of 294.36 g/mol, XLogP of 0.22, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 644524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).