acetyloxy-[3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2-methoxypropyl]mercury

C10H17HgN5O3 — CID 146037495

IUPACacetyloxy-[3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2-methoxypropyl]mercury
SMILESCOC(CNc1nc(C)nc(N)n1)C[Hg]OC(C)=O
InChIInChI=1S/C8H14N5O.C2H4O2.Hg/c1-5(14-3)4-10-8-12-6(2)11-7(9)13-8;1-2(3)4;/h5H,1,4H2,2-3H3,(H3,9,10,11,12,13);1H3,(H,3,4);/q;;+1/p-1
InChIKeyLXFNQTOINFLGLM-UHFFFAOYSA-M
MW455.87 g/mol
LogP0.17
Rot. Bonds7

About acetyloxy-[3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2-methoxypropyl]mercury

acetyloxy-[3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2-methoxypropyl]mercury (PubChem CID 146037495) has the molecular formula C10H17HgN5O3 and a molecular weight of 455.87 g/mol. Its IUPAC name is acetyloxy-[3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2-methoxypropyl]mercury.

Molecular Properties

Compound Nameacetyloxy-[3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2-methoxypropyl]mercury
PubChem CID146037495
Molecular FormulaC10H17HgN5O3
Molecular Weight455.87 g/mol
Exact Mass457.10
IUPAC Nameacetyloxy-[3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2-methoxypropyl]mercury
SMILESCOC(CNc1nc(C)nc(N)n1)C[Hg]OC(C)=O
InChIInChI=1S/C8H14N5O.C2H4O2.Hg/c1-5(14-3)4-10-8-12-6(2)11-7(9)13-8;1-2(3)4;/h5H,1,4H2,2-3H3,(H3,9,10,11,12,13);1H3,(H,3,4);/q;;+1/p-1
InChIKeyLXFNQTOINFLGLM-UHFFFAOYSA-M
XLogP0.17
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.87
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Ethanol, 2-((4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)amino)-, acetate (ester)
CID 3080158
Ethyl 4-methyl-6-(propan-2-ylamino)-1,3,5-triazine-2-carboxylate
CID 76331065
Ethyl 4-(butylamino)-6-methyl-1,3,5-triazine-2-carboxylate
CID 76316487
Ethyl 4-methyl-6-(propylamino)-1,3,5-triazine-2-carboxylate
CID 76320173
Ethyl 4-(butan-2-ylamino)-6-methyl-1,3,5-triazine-2-carboxylate
CID 76334647
(3-((4-Amino-6-methyl-1,3,5-triazin-2-yl)amino)-2-methoxypropyl)chloromercury
CID 11971882
Niosh/OV5470000
CID 146037559
methyl 4-[(2R)-1-methoxypropan-2-yl]oxy-6-(propylamino)-1,3,5-triazine-2-carboxylate
CID 126683552
2-[(4,6-Dimethyl-1,3,5-triazin-2-yl)amino]ethyl 3-iodo-2-methylpropanoate
CID 163447032
2-[(4,6-Dimethyl-1,3,5-triazin-2-yl)amino]ethyl 2-methylbutanoate
CID 163549476
2-[(4,6-Dimethyl-1,3,5-triazin-2-yl)amino]ethyl 3-amino-2,2-dimethylpropanoate
CID 163589646
2-N,6-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 175529696

Frequently Asked Questions

What is the IUPAC name of acetyloxy-[3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2-methoxypropyl]mercury?
The IUPAC name of acetyloxy-[3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2-methoxypropyl]mercury (CID 146037495) is acetyloxy-[3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2-methoxypropyl]mercury.
What is the SMILES notation for acetyloxy-[3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2-methoxypropyl]mercury?
The canonical SMILES for acetyloxy-[3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2-methoxypropyl]mercury is COC(CNc1nc(C)nc(N)n1)C[Hg]OC(C)=O.
What is the InChIKey of acetyloxy-[3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2-methoxypropyl]mercury?
The InChIKey is LXFNQTOINFLGLM-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H14N5O.C2H4O2.Hg/c1-5(14-3)4-10-8-12-6(2)11-7(9)13-8;1-2(3)4;/h5H,1,4H2,2-3H3,(H3,9,10,11,12,13);1H3,(H,3,4);/q;;+1/p-1.
What are the key properties of acetyloxy-[3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2-methoxypropyl]mercury?
acetyloxy-[3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2-methoxypropyl]mercury has a molecular weight of 455.87 g/mol, XLogP of 0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxy-[3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2-methoxypropyl]mercury is sourced from PubChem (CID 146037495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).