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

C16H25N7O2 — CID 715190

IUPAC(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-(2-methylpropyl)cyanamide
SMILESCC(C)CN(C#N)c1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H25N7O2/c1-13(2)11-23(12-17)16-19-14(21-3-7-24-8-4-21)18-15(20-16)22-5-9-25-10-6-22/h13H,3-11H2,1-2H3
InChIKeyJVBPVCGQWPGBNH-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.49
Rot. Bonds5

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

(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-(2-methylpropyl)cyanamide (PubChem CID 715190) has the molecular formula C16H25N7O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is (4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-(2-methylpropyl)cyanamide.

Molecular Properties

Compound Name(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-(2-methylpropyl)cyanamide
PubChem CID715190
Molecular FormulaC16H25N7O2
Molecular Weight347.42 g/mol
Exact Mass347.21
IUPAC Name(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-(2-methylpropyl)cyanamide
SMILESCC(C)CN(C#N)c1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H25N7O2/c1-13(2)11-23(12-17)16-19-14(21-3-7-24-8-4-21)18-15(20-16)22-5-9-25-10-6-22/h13H,3-11H2,1-2H3
InChIKeyJVBPVCGQWPGBNH-UHFFFAOYSA-N
XLogP0.49
TPSA90.64 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.49
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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Frequently Asked Questions

What is the IUPAC name of (4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-(2-methylpropyl)cyanamide?
The IUPAC name of (4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-(2-methylpropyl)cyanamide (CID 715190) is (4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-(2-methylpropyl)cyanamide.
What is the SMILES notation for (4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-(2-methylpropyl)cyanamide?
The canonical SMILES for (4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-(2-methylpropyl)cyanamide is CC(C)CN(C#N)c1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of (4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-(2-methylpropyl)cyanamide?
The InChIKey is JVBPVCGQWPGBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O2/c1-13(2)11-23(12-17)16-19-14(21-3-7-24-8-4-21)18-15(20-16)22-5-9-25-10-6-22/h13H,3-11H2,1-2H3.
What are the key properties of (4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-(2-methylpropyl)cyanamide?
(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-(2-methylpropyl)cyanamide has a molecular weight of 347.42 g/mol, XLogP of 0.49, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-(2-methylpropyl)cyanamide is sourced from PubChem (CID 715190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).