2-[3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol

C11H22N6O2 — CID 106311620

IUPAC2-[3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol
SMILESCNc1nc(NCCCOCCO)nc(N(C)C)n1
InChIInChI=1S/C11H22N6O2/c1-12-9-14-10(16-11(15-9)17(2)3)13-5-4-7-19-8-6-18/h18H,4-8H2,1-3H3,(H2,12,13,14,15,16)
InChIKeyNJDTZIOKXHBFKJ-UHFFFAOYSA-N
MW270.34 g/mol
LogP-0.21
Rot. Bonds9

About 2-[3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol

2-[3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol (PubChem CID 106311620) has the molecular formula C11H22N6O2 and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-[3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol.

Molecular Properties

Compound Name2-[3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol
PubChem CID106311620
Molecular FormulaC11H22N6O2
Molecular Weight270.34 g/mol
Exact Mass270.18
IUPAC Name2-[3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol
SMILESCNc1nc(NCCCOCCO)nc(N(C)C)n1
InChIInChI=1S/C11H22N6O2/c1-12-9-14-10(16-11(15-9)17(2)3)13-5-4-7-19-8-6-18/h18H,4-8H2,1-3H3,(H2,12,13,14,15,16)
InChIKeyNJDTZIOKXHBFKJ-UHFFFAOYSA-N
XLogP-0.21
TPSA95.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol
CID 106311525
4-N-(2-ethoxyethyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80793588
6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-propoxypropyl)-1,3,5-triazine-2,4-diamine
CID 82946845
2-[[4-(dimethylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 67172901
4-N-[4-(dimethylamino)butyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80816587
2-N,2-N,6-N-trimethyl-4-N-(7-methyloctyl)-1,3,5-triazine-2,4,6-triamine
CID 107818936
2-N,2-N,6-N-trimethyl-4-N-(5,5,5-trifluoropentyl)-1,3,5-triazine-2,4,6-triamine
CID 115523189
4-N-[2-(dimethylamino)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80770283
2-[3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol
CID 106311585
6-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol
CID 107855279
4-N-[2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 130243747
2-N,2-N,6-N-trimethyl-4-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4,6-triamine
CID 80839638

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol?
The IUPAC name of 2-[3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol (CID 106311620) is 2-[3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol.
What is the SMILES notation for 2-[3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol?
The canonical SMILES for 2-[3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol is CNc1nc(NCCCOCCO)nc(N(C)C)n1.
What is the InChIKey of 2-[3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol?
The InChIKey is NJDTZIOKXHBFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6O2/c1-12-9-14-10(16-11(15-9)17(2)3)13-5-4-7-19-8-6-18/h18H,4-8H2,1-3H3,(H2,12,13,14,15,16).
What are the key properties of 2-[3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol?
2-[3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol has a molecular weight of 270.34 g/mol, XLogP of -0.21, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol is sourced from PubChem (CID 106311620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).