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

C11H22N6O2 — CID 54434070

IUPAC1-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]-1-methoxyethanol
SMILESCOC(C)(O)N(C)c1nc(N(C)C)nc(N(C)C)n1
InChIInChI=1S/C11H22N6O2/c1-11(18,19-7)17(6)10-13-8(15(2)3)12-9(14-10)16(4)5/h18H,1-7H3
InChIKeyWJMXMCIIAFOTAH-UHFFFAOYSA-N
MW270.34 g/mol
LogP-0.25
Rot. Bonds5

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

1-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]-1-methoxyethanol (PubChem CID 54434070) has the molecular formula C11H22N6O2 and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]-1-methoxyethanol.

Molecular Properties

Compound Name1-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]-1-methoxyethanol
PubChem CID54434070
Molecular FormulaC11H22N6O2
Molecular Weight270.34 g/mol
Exact Mass270.18
IUPAC Name1-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]-1-methoxyethanol
SMILESCOC(C)(O)N(C)c1nc(N(C)C)nc(N(C)C)n1
InChIInChI=1S/C11H22N6O2/c1-11(18,19-7)17(6)10-13-8(15(2)3)12-9(14-10)16(4)5/h18H,1-7H3
InChIKeyWJMXMCIIAFOTAH-UHFFFAOYSA-N
XLogP-0.25
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

azane;2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine
CID 159451135
2-N,4-N,4-N,6-N,6-N-pentamethyl-2-N-[3,3,3-trimethoxy-2-(trimethoxymethyl)propyl]-1,3,5-triazine-2,4,6-triamine
CID 151176957
2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine;phosphoric acid
CID 172706081
1-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropan-2-ol
CID 80848223
1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-4-methoxy-2-methylbutan-2-ol
CID 106257760
6-methoxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 793255
[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol
CID 14925798
methyl 2-[cyano-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]acetate
CID 654168
1,1-dimethoxyethanol;1,3,5-triazine-2,4,6-triamine
CID 89428921
N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide
CID 2190946
methyl 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate
CID 742835
N-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]acetamide
CID 766782

Frequently Asked Questions

What is the IUPAC name of 1-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]-1-methoxyethanol?
The IUPAC name of 1-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]-1-methoxyethanol (CID 54434070) is 1-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]-1-methoxyethanol.
What is the SMILES notation for 1-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]-1-methoxyethanol?
The canonical SMILES for 1-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]-1-methoxyethanol is COC(C)(O)N(C)c1nc(N(C)C)nc(N(C)C)n1.
What is the InChIKey of 1-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]-1-methoxyethanol?
The InChIKey is WJMXMCIIAFOTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6O2/c1-11(18,19-7)17(6)10-13-8(15(2)3)12-9(14-10)16(4)5/h18H,1-7H3.
What are the key properties of 1-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]-1-methoxyethanol?
1-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]-1-methoxyethanol has a molecular weight of 270.34 g/mol, XLogP of -0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]-1-methoxyethanol is sourced from PubChem (CID 54434070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).