[3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2-hydroxypropyl]-bromomercury

C7H12BrHgN5O — CID 11971880

IUPAC[3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2-hydroxypropyl]-bromomercury
SMILESCc1nc(N)nc(NCC(O)C[Hg]Br)n1
InChIInChI=1S/C7H12N5O.BrH.Hg/c1-4(13)3-9-7-11-5(2)10-6(8)12-7;;/h4,13H,1,3H2,2H3,(H3,8,9,10,11,12);1H;/q;;+1/p-1
InChIKeyOIGUMNBAVMGJNP-UHFFFAOYSA-M
MW462.70 g/mol
LogP0.35
Rot. Bonds5

About [3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2-hydroxypropyl]-bromomercury

[3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2-hydroxypropyl]-bromomercury (PubChem CID 11971880) has the molecular formula C7H12BrHgN5O and a molecular weight of 462.70 g/mol. Its IUPAC name is [3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2-hydroxypropyl]-bromomercury.

Molecular Properties

Compound Name[3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2-hydroxypropyl]-bromomercury
PubChem CID11971880
Molecular FormulaC7H12BrHgN5O
Molecular Weight462.70 g/mol
Exact Mass462.99
IUPAC Name[3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2-hydroxypropyl]-bromomercury
SMILESCc1nc(N)nc(NCC(O)C[Hg]Br)n1
InChIInChI=1S/C7H12N5O.BrH.Hg/c1-4(13)3-9-7-11-5(2)10-6(8)12-7;;/h4,13H,1,3H2,2H3,(H3,8,9,10,11,12);1H;/q;;+1/p-1
InChIKeyOIGUMNBAVMGJNP-UHFFFAOYSA-M
XLogP0.35
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.70
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-Propanol, 1-((4,6-diamino-1,3,5-triazin-2-yl)amino)-
CID 20230609
2-[[4-(2-Hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]ethanol
CID 22225
(3-((4-Amino-6-methyl-1,3,5-triazin-2-yl)amino)-2-hydroxypropyl)chloromercury
CID 11971881
(3-((4-Amino-6-methyl-1,3,5-triazin-2-yl)amino)-2-methoxypropyl)chloromercury
CID 11971882
3-[(4-Amino-6-propyl-1,3,5-triazin-2-yl)amino]-1,1-difluoropropan-2-ol
CID 112746430
Niosh/OV5470000
CID 146037559
2-[[4-Methyl-6-[3-(methylamino)propylamino]-1,3,5-triazin-2-yl]amino]ethanol
CID 18724880
2-[[4-Methyl-6-(methylaminomethylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 20707477
2-[[4-Methyl-6-[2-(methylamino)ethyl]-1,3,5-triazin-2-yl]amino]ethanol
CID 20778493
1-(4,6-Diamino-1,3,5-triazin-2-yl)ethanol
CID 21820781
2-[(4-Chloro-6-propyl-1,3,5-triazin-2-yl)amino]-ethanol
CID 22167007
2-[[4-[3-(Ethylamino)propylamino]-6-methyl-1,3,5-triazin-2-yl]amino]ethanol
CID 53791557

Frequently Asked Questions

What is the IUPAC name of [3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2-hydroxypropyl]-bromomercury?
The IUPAC name of [3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2-hydroxypropyl]-bromomercury (CID 11971880) is [3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2-hydroxypropyl]-bromomercury.
What is the SMILES notation for [3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2-hydroxypropyl]-bromomercury?
The canonical SMILES for [3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2-hydroxypropyl]-bromomercury is Cc1nc(N)nc(NCC(O)C[Hg]Br)n1.
What is the InChIKey of [3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2-hydroxypropyl]-bromomercury?
The InChIKey is OIGUMNBAVMGJNP-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H12N5O.BrH.Hg/c1-4(13)3-9-7-11-5(2)10-6(8)12-7;;/h4,13H,1,3H2,2H3,(H3,8,9,10,11,12);1H;/q;;+1/p-1.
What are the key properties of [3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2-hydroxypropyl]-bromomercury?
[3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2-hydroxypropyl]-bromomercury has a molecular weight of 462.70 g/mol, XLogP of 0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2-hydroxypropyl]-bromomercury is sourced from PubChem (CID 11971880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).