4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]butan-1-ol

C9H16N4O3 — CID 106842670

IUPAC4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]butan-1-ol
SMILESCOc1nc(NCCCCO)nc(OC)n1
InChIInChI=1S/C9H16N4O3/c1-15-8-11-7(10-5-3-4-6-14)12-9(13-8)16-2/h14H,3-6H2,1-2H3,(H,10,11,12,13)
InChIKeyBLVWGGXIDJIFGY-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.07
Rot. Bonds7

About 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]butan-1-ol

4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]butan-1-ol (PubChem CID 106842670) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]butan-1-ol
PubChem CID106842670
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]butan-1-ol
SMILESCOc1nc(NCCCCO)nc(OC)n1
InChIInChI=1S/C9H16N4O3/c1-15-8-11-7(10-5-3-4-6-14)12-9(13-8)16-2/h14H,3-6H2,1-2H3,(H,10,11,12,13)
InChIKeyBLVWGGXIDJIFGY-UHFFFAOYSA-N
XLogP0.07
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N',N'-dimethylbutane-1,4-diamine
CID 62862123
5-[[4,6-bis(5-hydroxypentylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 12010696
7-[[4,6-bis(7-hydroxyheptylamino)-1,3,5-triazin-2-yl]amino]heptan-1-ol
CID 139959885
4-N-ethyl-6-methoxy-2-N-pentyl-1,3,5-triazine-2,4-diamine
CID 80786527
3-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]propan-1-ol
CID 80866003
2-[3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol
CID 106311525
6-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol
CID 107855312
6-[(4-methoxy-6-methylpyrimidin-2-yl)amino]hexan-1-ol
CID 113351651
4-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 106846977
tert-butyl N-[3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]propyl]carbamate
CID 103702920
5-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]pentan-1-ol
CID 107324376
2-N-butyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80785433

Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]butan-1-ol?
The IUPAC name of 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]butan-1-ol (CID 106842670) is 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]butan-1-ol.
What is the SMILES notation for 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]butan-1-ol?
The canonical SMILES for 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]butan-1-ol is COc1nc(NCCCCO)nc(OC)n1.
What is the InChIKey of 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]butan-1-ol?
The InChIKey is BLVWGGXIDJIFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-15-8-11-7(10-5-3-4-6-14)12-9(13-8)16-2/h14H,3-6H2,1-2H3,(H,10,11,12,13).
What are the key properties of 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]butan-1-ol?
4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]butan-1-ol has a molecular weight of 228.25 g/mol, XLogP of 0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]butan-1-ol is sourced from PubChem (CID 106842670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).