ethyl-[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]cyanamide

C12H19N7O — CID 2986617

IUPACethyl-[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]cyanamide
SMILESCCNc1nc(N(C#N)CC)nc(N2CCOCC2)n1
InChIInChI=1S/C12H19N7O/c1-3-14-10-15-11(18(4-2)9-13)17-12(16-10)19-5-7-20-8-6-19/h3-8H2,1-2H3,(H,14,15,16,17)
InChIKeyMXOCMSFCMJHBEL-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.45
Rot. Bonds5

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

ethyl-[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]cyanamide (PubChem CID 2986617) has the molecular formula C12H19N7O and a molecular weight of 277.33 g/mol. Its IUPAC name is ethyl-[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]cyanamide.

Molecular Properties

Compound Nameethyl-[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]cyanamide
PubChem CID2986617
Molecular FormulaC12H19N7O
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC Nameethyl-[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]cyanamide
SMILESCCNc1nc(N(C#N)CC)nc(N2CCOCC2)n1
InChIInChI=1S/C12H19N7O/c1-3-14-10-15-11(18(4-2)9-13)17-12(16-10)19-5-7-20-8-6-19/h3-8H2,1-2H3,(H,14,15,16,17)
InChIKeyMXOCMSFCMJHBEL-UHFFFAOYSA-N
XLogP0.45
TPSA90.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.45
H-Bond Donors ≤ 51
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-Di(morpholin-4-yl)-1,3,5-triazin-2-yl]amino}ethanol
CID 2835546
2-N-tert-butyl-6-chloro-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 3762337
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
4-methoxy-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 976569
N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide
CID 2033517
4,6-dimorpholin-4-yl-N-propyl-1,3,5-triazin-2-amine
CID 2057546
N-allyl-N'-ethyl-6-(4-morpholinyl)-1,3,5-triazine-2,4-diamine
CID 2295099
N-cyclopentyl-6-(morpholin-4-yl)-N'-(propan-2-yl)-1,3,5-triazine-2,4-diamine
CID 672863
(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

Frequently Asked Questions

What is the IUPAC name of ethyl-[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]cyanamide?
The IUPAC name of ethyl-[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]cyanamide (CID 2986617) is ethyl-[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]cyanamide.
What is the SMILES notation for ethyl-[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]cyanamide?
The canonical SMILES for ethyl-[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]cyanamide is CCNc1nc(N(C#N)CC)nc(N2CCOCC2)n1.
What is the InChIKey of ethyl-[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]cyanamide?
The InChIKey is MXOCMSFCMJHBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7O/c1-3-14-10-15-11(18(4-2)9-13)17-12(16-10)19-5-7-20-8-6-19/h3-8H2,1-2H3,(H,14,15,16,17).
What are the key properties of ethyl-[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]cyanamide?
ethyl-[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]cyanamide has a molecular weight of 277.33 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]cyanamide is sourced from PubChem (CID 2986617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).