butyl-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)cyanamide

C16H25N7O2 — CID 4536412

IUPACbutyl-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)cyanamide
SMILESCCCCN(C#N)c1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H25N7O2/c1-2-3-4-23(13-17)16-19-14(21-5-9-24-10-6-21)18-15(20-16)22-7-11-25-12-8-22/h2-12H2,1H3
InChIKeyMYZAOKAPIITVIS-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.63
Rot. Bonds6

About butyl-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)cyanamide

butyl-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)cyanamide (PubChem CID 4536412) has the molecular formula C16H25N7O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is butyl-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)cyanamide.

Molecular Properties

Compound Namebutyl-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)cyanamide
PubChem CID4536412
Molecular FormulaC16H25N7O2
Molecular Weight347.42 g/mol
Exact Mass347.21
IUPAC Namebutyl-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)cyanamide
SMILESCCCCN(C#N)c1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H25N7O2/c1-2-3-4-23(13-17)16-19-14(21-5-9-24-10-6-21)18-15(20-16)22-7-11-25-12-8-22/h2-12H2,1H3
InChIKeyMYZAOKAPIITVIS-UHFFFAOYSA-N
XLogP0.63
TPSA90.64 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-Trimorpholino-1,3,5-triazine
CID 85361
Acetonitrile, ((4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)oxy)-
CID 644599
2-Ethoxy-4,6-dimorpholin-4-yl-1,3,5-triazine
CID 703119
4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride
CID 2734059
(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-(2-methylpropyl)cyanamide
CID 715190
4,6-dimorpholin-4-yl-N-propyl-1,3,5-triazin-2-amine
CID 2057546
(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-methylcyanamide
CID 714956
N,N,N',N'-tetramethyl-6-(4-morpholinyl)-1,3,5-triazine-2,4-diamine
CID 1508119
4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl(isopropyl)cyanamide
CID 714962
4,6-Dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 4577604
2-Chloro-4,6-bis(morpholin-4-yl)-1,3,5-triazine
CID 224967
2-(Dimethylamino)-4,6-dimorpholino-1,3,5-triazine
CID 626291

Frequently Asked Questions

What is the IUPAC name of butyl-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)cyanamide?
The IUPAC name of butyl-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)cyanamide (CID 4536412) is butyl-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)cyanamide.
What is the SMILES notation for butyl-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)cyanamide?
The canonical SMILES for butyl-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)cyanamide is CCCCN(C#N)c1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of butyl-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)cyanamide?
The InChIKey is MYZAOKAPIITVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O2/c1-2-3-4-23(13-17)16-19-14(21-5-9-24-10-6-21)18-15(20-16)22-7-11-25-12-8-22/h2-12H2,1H3.
What are the key properties of butyl-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)cyanamide?
butyl-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)cyanamide has a molecular weight of 347.42 g/mol, XLogP of 0.63, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)cyanamide is sourced from PubChem (CID 4536412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).