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

C16H21N7O — CID 694925

IUPAC[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide
SMILESCN(C)c1nc(N(C)C)nc(N(C#N)CCOc2ccccc2)n1
InChIInChI=1S/C16H21N7O/c1-21(2)14-18-15(22(3)4)20-16(19-14)23(12-17)10-11-24-13-8-6-5-7-9-13/h5-9H,10-11H2,1-4H3
InChIKeyRUPBLWIJNNVTPT-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.37
Rot. Bonds7

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

[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide (PubChem CID 694925) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide.

Molecular Properties

Compound Name[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide
PubChem CID694925
Molecular FormulaC16H21N7O
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Name[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide
SMILESCN(C)c1nc(N(C)C)nc(N(C#N)CCOc2ccccc2)n1
InChIInChI=1S/C16H21N7O/c1-21(2)14-18-15(22(3)4)20-16(19-14)23(12-17)10-11-24-13-8-6-5-7-9-13/h5-9H,10-11H2,1-4H3
InChIKeyRUPBLWIJNNVTPT-UHFFFAOYSA-N
XLogP1.37
TPSA81.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.37
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

[4-Chloro-6-(dimethylamino)-1,3,5-triazin-2-yl](2-phenoxyethyl)cyanamide
CID 614541
[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]-[2-(2-methylphenoxy)ethyl]cyanamide
CID 742235
6-(Phenoxymethyl)-1,3,5-triazine-2,4-diamine
CID 827417
2-(4-Morpholinyl)-4,6-diphenoxy-1,3,5-triazine
CID 1240525
[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]-[2-(2-methoxyphenoxy)ethyl]cyanamide
CID 3125344
4,6-Bis(ethylamino)-1,3,5-triazin-2-yl(2-phenoxyethyl)cyanamide
CID 828067
2,4-Di-4-morpholinyl-6-phenoxy-1,3,5-triazine
CID 970218
6-Chloro-N,N-dimethyl-N'-(2-phenoxy-ethyl)-[1,3,5]triazine-2,4-diamine
CID 1730397
N-sec-Butyl-6-chloro-N'-(2-phenoxy-ethyl)-[1,3,5]triazine-2,4-diamine
CID 3098376
4-(4-Methylpiperazin-1-yl)-6-(phenoxymethyl)-1,3,5-triazin-2-amine
CID 155531846
4-Methyl-6-(phenoxymethyl)-1,3,5-triazin-2-amine
CID 2746286
6-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 34722533

Frequently Asked Questions

What is the IUPAC name of [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide?
The IUPAC name of [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide (CID 694925) is [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide.
What is the SMILES notation for [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide?
The canonical SMILES for [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide is CN(C)c1nc(N(C)C)nc(N(C#N)CCOc2ccccc2)n1.
What is the InChIKey of [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide?
The InChIKey is RUPBLWIJNNVTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O/c1-21(2)14-18-15(22(3)4)20-16(19-14)23(12-17)10-11-24-13-8-6-5-7-9-13/h5-9H,10-11H2,1-4H3.
What are the key properties of [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide?
[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide has a molecular weight of 327.39 g/mol, XLogP of 1.37, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide is sourced from PubChem (CID 694925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).