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

C12H20N6O3 — CID 647860

IUPAC[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-(2-ethoxyethoxymethyl)cyanamide
SMILESCCOCCOCN(C#N)c1nc(OC)nc(N(C)C)n1
InChIInChI=1S/C12H20N6O3/c1-5-20-6-7-21-9-18(8-13)11-14-10(17(2)3)15-12(16-11)19-4/h5-7,9H2,1-4H3
InChIKeyPOZVTKLSVJMTRA-UHFFFAOYSA-N
MW296.33 g/mol
LogP0.24
Rot. Bonds9

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

[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-(2-ethoxyethoxymethyl)cyanamide (PubChem CID 647860) has the molecular formula C12H20N6O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is [4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-(2-ethoxyethoxymethyl)cyanamide.

Molecular Properties

Compound Name[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-(2-ethoxyethoxymethyl)cyanamide
PubChem CID647860
Molecular FormulaC12H20N6O3
Molecular Weight296.33 g/mol
Exact Mass296.16
IUPAC Name[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-(2-ethoxyethoxymethyl)cyanamide
SMILESCCOCCOCN(C#N)c1nc(OC)nc(N(C)C)n1
InChIInChI=1S/C12H20N6O3/c1-5-20-6-7-21-9-18(8-13)11-14-10(17(2)3)15-12(16-11)19-4/h5-7,9H2,1-4H3
InChIKeyPOZVTKLSVJMTRA-UHFFFAOYSA-N
XLogP0.24
TPSA96.63 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N2,N2,N4,N4,N6,N6-Hexakis(ethoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 202358
2-((4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl)oxy)ethyl acetate
CID 653990
({4-(Dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl}oxy)acetonitrile
CID 1903638
{[4-(Dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy}acetonitrile
CID 4208960
2-[[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethanol
CID 1893539
2,4,6-Tris(2-methoxyethoxy)-1,3,5-triazine
CID 132523931
{[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]oxy}acetonitrile
CID 1910973
N-[4-(Cyanomethoxy)-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-methylcyanamide
CID 12641787
[[4,6-Bis[ethoxymethyl(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(ethoxymethyl)amino]methanol
CID 15835046
2-N,2-N-bis(butoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 17865452
2-N,2-N,4-N,4-N,6-N,6-N-hexakis(propoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 20255910
[[4-[Bis(ethoxymethyl)amino]-6-[ethoxymethyl(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol
CID 20354736

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-(2-ethoxyethoxymethyl)cyanamide?
The IUPAC name of [4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-(2-ethoxyethoxymethyl)cyanamide (CID 647860) is [4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-(2-ethoxyethoxymethyl)cyanamide.
What is the SMILES notation for [4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-(2-ethoxyethoxymethyl)cyanamide?
The canonical SMILES for [4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-(2-ethoxyethoxymethyl)cyanamide is CCOCCOCN(C#N)c1nc(OC)nc(N(C)C)n1.
What is the InChIKey of [4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-(2-ethoxyethoxymethyl)cyanamide?
The InChIKey is POZVTKLSVJMTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O3/c1-5-20-6-7-21-9-18(8-13)11-14-10(17(2)3)15-12(16-11)19-4/h5-7,9H2,1-4H3.
What are the key properties of [4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-(2-ethoxyethoxymethyl)cyanamide?
[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-(2-ethoxyethoxymethyl)cyanamide has a molecular weight of 296.33 g/mol, XLogP of 0.24, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-(2-ethoxyethoxymethyl)cyanamide is sourced from PubChem (CID 647860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).