2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2-methoxyethyl)amino]ethanol

C9H18N6O2 — CID 113246452

IUPAC2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2-methoxyethyl)amino]ethanol
SMILESCOCCN(CCO)Cc1nc(N)nc(N)n1
InChIInChI=1S/C9H18N6O2/c1-17-5-3-15(2-4-16)6-7-12-8(10)14-9(11)13-7/h16H,2-6H2,1H3,(H4,10,11,12,13,14)
InChIKeyDVYSRURDIFVBOQ-UHFFFAOYSA-N
MW242.28 g/mol
LogP-1.52
Rot. Bonds7

About 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2-methoxyethyl)amino]ethanol

2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2-methoxyethyl)amino]ethanol (PubChem CID 113246452) has the molecular formula C9H18N6O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2-methoxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2-methoxyethyl)amino]ethanol
PubChem CID113246452
Molecular FormulaC9H18N6O2
Molecular Weight242.28 g/mol
Exact Mass242.15
IUPAC Name2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2-methoxyethyl)amino]ethanol
SMILESCOCCN(CCO)Cc1nc(N)nc(N)n1
InChIInChI=1S/C9H18N6O2/c1-17-5-3-15(2-4-16)6-7-12-8(10)14-9(11)13-7/h16H,2-6H2,1H3,(H4,10,11,12,13,14)
InChIKeyDVYSRURDIFVBOQ-UHFFFAOYSA-N
XLogP-1.52
TPSA123.41 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-1.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2-methoxyethyl)amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[butyl-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]amino]ethanol
CID 60689088
2-[2-methoxyethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 111103242
2-[(2,6-dichloro-4-pyridinyl)methyl-(2-methoxyethyl)amino]ethanol
CID 111436382
3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-ethylamino]propan-1-ol
CID 115674914
2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-propan-2-ylamino]ethanol
CID 60693391
2-[2-methoxyethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 110929495
2-[2-methoxyethyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol
CID 115613587
2-[(6-chloro-2-pyridinyl)methyl-(2-methoxyethyl)amino]ethanol
CID 115665477
2-[2-methoxyethyl(naphthalen-1-ylmethyl)amino]ethanol
CID 111103161
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-(2-methoxyethyl)amino]ethanol
CID 115613823
carbanylium;2-[(1-hydroxypyridin-1-ium-4-yl)methyl-(2-methoxyethyl)amino]ethanol;methane
CID 159154967
2-[1H-imidazol-5-ylmethyl(2-methoxyethyl)amino]ethanol
CID 115882703

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2-methoxyethyl)amino]ethanol?
The IUPAC name of 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2-methoxyethyl)amino]ethanol (CID 113246452) is 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2-methoxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2-methoxyethyl)amino]ethanol?
The canonical SMILES for 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2-methoxyethyl)amino]ethanol is COCCN(CCO)Cc1nc(N)nc(N)n1.
What is the InChIKey of 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2-methoxyethyl)amino]ethanol?
The InChIKey is DVYSRURDIFVBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6O2/c1-17-5-3-15(2-4-16)6-7-12-8(10)14-9(11)13-7/h16H,2-6H2,1H3,(H4,10,11,12,13,14).
What are the key properties of 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2-methoxyethyl)amino]ethanol?
2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2-methoxyethyl)amino]ethanol has a molecular weight of 242.28 g/mol, XLogP of -1.52, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2-methoxyethyl)amino]ethanol is sourced from PubChem (CID 113246452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).