ethyl-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)cyanamide

C11H16N6O2 — CID 6463463

IUPACethyl-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)cyanamide
SMILESCCN(C#N)c1nc(OC)nc(N2CCOCC2)n1
InChIInChI=1S/C11H16N6O2/c1-3-16(8-12)9-13-10(15-11(14-9)18-2)17-4-6-19-7-5-17/h3-7H2,1-2H3
InChIKeyJPBSSAADEVRQCG-UHFFFAOYSA-N
MW264.29 g/mol
LogP0.02
Rot. Bonds4

About ethyl-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)cyanamide

ethyl-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)cyanamide (PubChem CID 6463463) has the molecular formula C11H16N6O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is ethyl-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)cyanamide.

Molecular Properties

Compound Nameethyl-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)cyanamide
PubChem CID6463463
Molecular FormulaC11H16N6O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC Nameethyl-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)cyanamide
SMILESCCN(C#N)c1nc(OC)nc(N2CCOCC2)n1
InChIInChI=1S/C11H16N6O2/c1-3-16(8-12)9-13-10(15-11(14-9)18-2)17-4-6-19-7-5-17/h3-7H2,1-2H3
InChIKeyJPBSSAADEVRQCG-UHFFFAOYSA-N
XLogP0.02
TPSA87.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)cyanamide?
The IUPAC name of ethyl-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)cyanamide (CID 6463463) is ethyl-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)cyanamide.
What is the SMILES notation for ethyl-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)cyanamide?
The canonical SMILES for ethyl-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)cyanamide is CCN(C#N)c1nc(OC)nc(N2CCOCC2)n1.
What is the InChIKey of ethyl-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)cyanamide?
The InChIKey is JPBSSAADEVRQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2/c1-3-16(8-12)9-13-10(15-11(14-9)18-2)17-4-6-19-7-5-17/h3-7H2,1-2H3.
What are the key properties of ethyl-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)cyanamide?
ethyl-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)cyanamide has a molecular weight of 264.29 g/mol, XLogP of 0.02, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)cyanamide is sourced from PubChem (CID 6463463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).