[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-ethylcyanamide

C12H19N7O — CID 2992426

IUPAC[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-ethylcyanamide
SMILESCCN(C#N)c1nc(N(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C12H19N7O/c1-4-18(9-13)11-14-10(17(2)3)15-12(16-11)19-5-7-20-8-6-19/h4-8H2,1-3H3
InChIKeyTZCYNDLABULTFU-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.08
Rot. Bonds4

About [4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-ethylcyanamide

[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-ethylcyanamide (PubChem CID 2992426) has the molecular formula C12H19N7O and a molecular weight of 277.33 g/mol. Its IUPAC name is [4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-ethylcyanamide.

Molecular Properties

Compound Name[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-ethylcyanamide
PubChem CID2992426
Molecular FormulaC12H19N7O
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC Name[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-ethylcyanamide
SMILESCCN(C#N)c1nc(N(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C12H19N7O/c1-4-18(9-13)11-14-10(17(2)3)15-12(16-11)19-5-7-20-8-6-19/h4-8H2,1-3H3
InChIKeyTZCYNDLABULTFU-UHFFFAOYSA-N
XLogP0.08
TPSA81.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.08
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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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-Dichloro-6-morpholino-1,3,5-triazine
CID 81076
N,N-dimethyl-4-morpholin-4-yl-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-amine
CID 943695
4-(4-Ethoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine
CID 703119
N-[4-[hydroxy(methyl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-N-methylhydroxylamine
CID 44186462
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-Chloro-4-methoxy-6-(morpholin-4-yl)-1,3,5-triazine
CID 686256
(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

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-ethylcyanamide?
The IUPAC name of [4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-ethylcyanamide (CID 2992426) is [4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-ethylcyanamide.
What is the SMILES notation for [4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-ethylcyanamide?
The canonical SMILES for [4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-ethylcyanamide is CCN(C#N)c1nc(N(C)C)nc(N2CCOCC2)n1.
What is the InChIKey of [4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-ethylcyanamide?
The InChIKey is TZCYNDLABULTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7O/c1-4-18(9-13)11-14-10(17(2)3)15-12(16-11)19-5-7-20-8-6-19/h4-8H2,1-3H3.
What are the key properties of [4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-ethylcyanamide?
[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-ethylcyanamide has a molecular weight of 277.33 g/mol, XLogP of 0.08, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-ethylcyanamide is sourced from PubChem (CID 2992426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).