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

C10H20N6O — CID 60689088

IUPAC2-[butyl-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]amino]ethanol
SMILESCCCCN(CCO)Cc1nc(N)nc(N)n1
InChIInChI=1S/C10H20N6O/c1-2-3-4-16(5-6-17)7-8-13-9(11)15-10(12)14-8/h17H,2-7H2,1H3,(H4,11,12,13,14,15)
InChIKeyMHGTUXKDWXFLGF-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.37
Rot. Bonds7

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

2-[butyl-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]amino]ethanol (PubChem CID 60689088) has the molecular formula C10H20N6O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[butyl-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[butyl-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]amino]ethanol
PubChem CID60689088
Molecular FormulaC10H20N6O
Molecular Weight240.31 g/mol
Exact Mass240.17
IUPAC Name2-[butyl-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]amino]ethanol
SMILESCCCCN(CCO)Cc1nc(N)nc(N)n1
InChIInChI=1S/C10H20N6O/c1-2-3-4-16(5-6-17)7-8-13-9(11)15-10(12)14-8/h17H,2-7H2,1H3,(H4,11,12,13,14,15)
InChIKeyMHGTUXKDWXFLGF-UHFFFAOYSA-N
XLogP-0.37
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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-(2-methoxyethyl)amino]ethanol
CID 113246452
2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl-pentylamino]ethanol
CID 111913626
2-[butyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 60968468
2-[butyl(2-hydroxyethyl)amino]ethanol
CID 23103220
2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-propan-2-ylamino]ethanol
CID 60693391
2-[butyl(2-hydroxyethyl)amino]ethanol;titanium
CID 174575595
2-[butyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 61360390
2-[butyl-[(3,4-dichlorophenyl)methyl]amino]ethanol
CID 60689446
2-[butyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]ethanol
CID 62245513
6-butyl-1,3,5-triazine-2,4-diamine
CID 18602
2-[butyl(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(octadecyl)amino]ethanol
CID 161305073

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]amino]ethanol?
The IUPAC name of 2-[butyl-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]amino]ethanol (CID 60689088) is 2-[butyl-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[butyl-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[butyl-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]amino]ethanol is CCCCN(CCO)Cc1nc(N)nc(N)n1.
What is the InChIKey of 2-[butyl-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]amino]ethanol?
The InChIKey is MHGTUXKDWXFLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6O/c1-2-3-4-16(5-6-17)7-8-13-9(11)15-10(12)14-8/h17H,2-7H2,1H3,(H4,11,12,13,14,15).
What are the key properties of 2-[butyl-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]amino]ethanol?
2-[butyl-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]amino]ethanol has a molecular weight of 240.31 g/mol, XLogP of -0.37, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]amino]ethanol is sourced from PubChem (CID 60689088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).