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

C18H23N7O2 — CID 6459622

IUPAC[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide
SMILESCCNc1nc(N(C#N)CCOc2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H23N7O2/c1-2-20-16-21-17(24-8-11-26-12-9-24)23-18(22-16)25(14-19)10-13-27-15-6-4-3-5-7-15/h3-7H,2,8-13H2,1H3,(H,20,21,22,23)
InChIKeyMOIFRKAJVGZNTG-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.51
Rot. Bonds8

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

[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide (PubChem CID 6459622) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is [4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide.

Molecular Properties

Compound Name[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide
PubChem CID6459622
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC Name[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide
SMILESCCNc1nc(N(C#N)CCOc2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H23N7O2/c1-2-20-16-21-17(24-8-11-26-12-9-24)23-18(22-16)25(14-19)10-13-27-15-6-4-3-5-7-15/h3-7H,2,8-13H2,1H3,(H,20,21,22,23)
InChIKeyMOIFRKAJVGZNTG-UHFFFAOYSA-N
XLogP1.51
TPSA99.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.51
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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Launch Full Analysis

Related Compounds

2-N-ethyl-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
CID 645138
2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-methylamino]ethanol
CID 80771023
N-ethyl-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 34253082
2-N-(4-ethoxyphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580366
2-N-hexyl-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
CID 2172668
1-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-methylamino]propan-2-ol
CID 80800667
4-N-methyl-6-morpholin-4-yl-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80772544
2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethanol
CID 80866849
N-ethyl-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-1,3,5-triazin-2-amine
CID 110178646
2-N-cyclobutyl-4-N-ethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80826457
4-N,4-N-dimethyl-6-(1,4-oxazepan-4-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80822984
2-N-butan-2-yl-4-N-ethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80765648

Frequently Asked Questions

What is the IUPAC name of [4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide?
The IUPAC name of [4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide (CID 6459622) is [4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide.
What is the SMILES notation for [4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide?
The canonical SMILES for [4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide is CCNc1nc(N(C#N)CCOc2ccccc2)nc(N2CCOCC2)n1.
What is the InChIKey of [4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide?
The InChIKey is MOIFRKAJVGZNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O2/c1-2-20-16-21-17(24-8-11-26-12-9-24)23-18(22-16)25(14-19)10-13-27-15-6-4-3-5-7-15/h3-7H,2,8-13H2,1H3,(H,20,21,22,23).
What are the key properties of [4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide?
[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide has a molecular weight of 369.43 g/mol, XLogP of 1.51, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide is sourced from PubChem (CID 6459622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).