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

C12H17N7O2 — CID 714954

IUPAC(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)cyanamide
SMILESN#CNc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C12H17N7O2/c13-9-14-10-15-11(18-1-5-20-6-2-18)17-12(16-10)19-3-7-21-8-4-19/h1-8H2,(H,14,15,16,17)
InChIKeyINKTYYSRRUYCHZ-UHFFFAOYSA-N
MW291.31 g/mol
LogP-0.56
Rot. Bonds3

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

(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)cyanamide (PubChem CID 714954) has the molecular formula C12H17N7O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is (4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)cyanamide.

Molecular Properties

Compound Name(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)cyanamide
PubChem CID714954
Molecular FormulaC12H17N7O2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Name(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)cyanamide
SMILESN#CNc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C12H17N7O2/c13-9-14-10-15-11(18-1-5-20-6-2-18)17-12(16-10)19-3-7-21-8-4-19/h1-8H2,(H,14,15,16,17)
InChIKeyINKTYYSRRUYCHZ-UHFFFAOYSA-N
XLogP-0.56
TPSA99.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
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-{[4,6-Di(morpholin-4-yl)-1,3,5-triazin-2-yl]amino}ethanol
CID 2835546
2-Ethoxy-4,6-dimorpholin-4-yl-1,3,5-triazine
CID 703119
4,6-Dimorpholin-4-yl-1,3,5-triazine-2-carbonitrile
CID 755373
4-Methoxy-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
CID 709353
6-(4-Morpholinyl)-1,3,5-triazine-2,4-diamine
CID 96906
4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride
CID 2734059
2-(Morpholin-4-YL)-4-(piperazin-1-YL)-1,3,5-triazine
CID 66685500
(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-(2-methylpropyl)cyanamide
CID 715190
4-methoxy-N-methyl-6-(4-morpholinyl)-1,3,5-triazin-2-amine
CID 976569
4,6-dimorpholin-4-yl-N-propyl-1,3,5-triazin-2-amine
CID 2057546

Frequently Asked Questions

What is the IUPAC name of (4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)cyanamide?
The IUPAC name of (4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)cyanamide (CID 714954) is (4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)cyanamide.
What is the SMILES notation for (4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)cyanamide?
The canonical SMILES for (4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)cyanamide is N#CNc1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of (4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)cyanamide?
The InChIKey is INKTYYSRRUYCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7O2/c13-9-14-10-15-11(18-1-5-20-6-2-18)17-12(16-10)19-3-7-21-8-4-19/h1-8H2,(H,14,15,16,17).
What are the key properties of (4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)cyanamide?
(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)cyanamide has a molecular weight of 291.31 g/mol, XLogP of -0.56, 3 rotatable bonds, 1 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)cyanamide is sourced from PubChem (CID 714954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).