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

C17H23N7O — CID 742235

IUPAC[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-[2-(2-methylphenoxy)ethyl]cyanamide
SMILESCc1ccccc1OCCN(C#N)c1nc(N(C)C)nc(N(C)C)n1
InChIInChI=1S/C17H23N7O/c1-13-8-6-7-9-14(13)25-11-10-24(12-18)17-20-15(22(2)3)19-16(21-17)23(4)5/h6-9H,10-11H2,1-5H3
InChIKeyXVVBDOCUOGLIMR-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.68
Rot. Bonds7

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

[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-[2-(2-methylphenoxy)ethyl]cyanamide (PubChem CID 742235) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-[2-(2-methylphenoxy)ethyl]cyanamide.

Molecular Properties

Compound Name[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-[2-(2-methylphenoxy)ethyl]cyanamide
PubChem CID742235
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-[2-(2-methylphenoxy)ethyl]cyanamide
SMILESCc1ccccc1OCCN(C#N)c1nc(N(C)C)nc(N(C)C)n1
InChIInChI=1S/C17H23N7O/c1-13-8-6-7-9-14(13)25-11-10-24(12-18)17-20-15(22(2)3)19-16(21-17)23(4)5/h6-9H,10-11H2,1-5H3
InChIKeyXVVBDOCUOGLIMR-UHFFFAOYSA-N
XLogP1.68
TPSA81.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.68
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-methoxyphenoxy)ethyl]cyanamide
CID 3125344
4,6-Bis(ethylamino)-1,3,5-triazin-2-yl(2-phenoxyethyl)cyanamide
CID 828067
4-[(4,6-Di-4-morpholinyl-1,3,5-triazin-2-yl)oxy]benzonitrile
CID 1086559
6-Chloro-N,N-dimethyl-N'-(2-phenoxy-ethyl)-[1,3,5]triazine-2,4-diamine
CID 1730397
4-[(2-Methylphenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155562918
[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide
CID 694925
N-(4-(dimethylamino)-6-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1,3,5-triazin-2-yl)-N,N-dimethylamine
CID 4142211
(4-Ethylamino-6-isopropylamino-[1,3,5]triazin-2-yl)-(2-phenoxy-ethyl)-cyanamide
CID 834134
[4-(Dimethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide
CID 71717398
6-chloro-N-ethyl-N'-[2-(4-methylphenoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 15945094
6-(2-fluoropropan-2-yl)-2-N-methyl-2-N-[2-(3-methylphenoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 67804607

Frequently Asked Questions

What is the IUPAC name of [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-[2-(2-methylphenoxy)ethyl]cyanamide?
The IUPAC name of [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-[2-(2-methylphenoxy)ethyl]cyanamide (CID 742235) is [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-[2-(2-methylphenoxy)ethyl]cyanamide.
What is the SMILES notation for [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-[2-(2-methylphenoxy)ethyl]cyanamide?
The canonical SMILES for [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-[2-(2-methylphenoxy)ethyl]cyanamide is Cc1ccccc1OCCN(C#N)c1nc(N(C)C)nc(N(C)C)n1.
What is the InChIKey of [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-[2-(2-methylphenoxy)ethyl]cyanamide?
The InChIKey is XVVBDOCUOGLIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-13-8-6-7-9-14(13)25-11-10-24(12-18)17-20-15(22(2)3)19-16(21-17)23(4)5/h6-9H,10-11H2,1-5H3.
What are the key properties of [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-[2-(2-methylphenoxy)ethyl]cyanamide?
[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-[2-(2-methylphenoxy)ethyl]cyanamide has a molecular weight of 341.42 g/mol, XLogP of 1.68, 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-(2-methylphenoxy)ethyl]cyanamide is sourced from PubChem (CID 742235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).