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

C17H23N7O2 — CID 3125344

IUPAC[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-[2-(2-methoxyphenoxy)ethyl]cyanamide
SMILESCOc1ccccc1OCCN(C#N)c1nc(N(C)C)nc(N(C)C)n1
InChIInChI=1S/C17H23N7O2/c1-22(2)15-19-16(23(3)4)21-17(20-15)24(12-18)10-11-26-14-9-7-6-8-13(14)25-5/h6-9H,10-11H2,1-5H3
InChIKeyNCLNBCDHPDYSBL-UHFFFAOYSA-N
MW357.42 g/mol
LogP1.38
Rot. Bonds8

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

[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-[2-(2-methoxyphenoxy)ethyl]cyanamide (PubChem CID 3125344) has the molecular formula C17H23N7O2 and a molecular weight of 357.42 g/mol. Its IUPAC name is [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-[2-(2-methoxyphenoxy)ethyl]cyanamide.

Molecular Properties

Compound Name[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-[2-(2-methoxyphenoxy)ethyl]cyanamide
PubChem CID3125344
Molecular FormulaC17H23N7O2
Molecular Weight357.42 g/mol
Exact Mass357.19
IUPAC Name[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-[2-(2-methoxyphenoxy)ethyl]cyanamide
SMILESCOc1ccccc1OCCN(C#N)c1nc(N(C)C)nc(N(C)C)n1
InChIInChI=1S/C17H23N7O2/c1-22(2)15-19-16(23(3)4)21-17(20-15)24(12-18)10-11-26-14-9-7-6-8-13(14)25-5/h6-9H,10-11H2,1-5H3
InChIKeyNCLNBCDHPDYSBL-UHFFFAOYSA-N
XLogP1.38
TPSA90.64 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 51.38
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-[2-(2-methoxyphenoxy)ethyl]cyanamide?
The IUPAC name of [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-[2-(2-methoxyphenoxy)ethyl]cyanamide (CID 3125344) is [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-[2-(2-methoxyphenoxy)ethyl]cyanamide.
What is the SMILES notation for [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-[2-(2-methoxyphenoxy)ethyl]cyanamide?
The canonical SMILES for [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-[2-(2-methoxyphenoxy)ethyl]cyanamide is COc1ccccc1OCCN(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-methoxyphenoxy)ethyl]cyanamide?
The InChIKey is NCLNBCDHPDYSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O2/c1-22(2)15-19-16(23(3)4)21-17(20-15)24(12-18)10-11-26-14-9-7-6-8-13(14)25-5/h6-9H,10-11H2,1-5H3.
What are the key properties of [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-[2-(2-methoxyphenoxy)ethyl]cyanamide?
[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-[2-(2-methoxyphenoxy)ethyl]cyanamide has a molecular weight of 357.42 g/mol, XLogP of 1.38, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-[2-(2-methoxyphenoxy)ethyl]cyanamide is sourced from PubChem (CID 3125344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).