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

C8H14ClHgN5O — CID 11971882

IUPAC[3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2-methoxypropyl]-chloromercury
SMILESCOC(CNc1nc(C)nc(N)n1)C[Hg]Cl
InChIInChI=1S/C8H14N5O.ClH.Hg/c1-5(14-3)4-10-8-12-6(2)11-7(9)13-8;;/h5H,1,4H2,2-3H3,(H3,9,10,11,12,13);1H;/q;;+1/p-1
InChIKeyNSOGCBAXBXRXGQ-UHFFFAOYSA-M
MW432.28 g/mol
LogP0.84
Rot. Bonds6

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

[3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2-methoxypropyl]-chloromercury (PubChem CID 11971882) has the molecular formula C8H14ClHgN5O and a molecular weight of 432.28 g/mol. Its IUPAC name is [3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2-methoxypropyl]-chloromercury.

Molecular Properties

Compound Name[3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2-methoxypropyl]-chloromercury
PubChem CID11971882
Molecular FormulaC8H14ClHgN5O
Molecular Weight432.28 g/mol
Exact Mass433.06
IUPAC Name[3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2-methoxypropyl]-chloromercury
SMILESCOC(CNc1nc(C)nc(N)n1)C[Hg]Cl
InChIInChI=1S/C8H14N5O.ClH.Hg/c1-5(14-3)4-10-8-12-6(2)11-7(9)13-8;;/h5H,1,4H2,2-3H3,(H3,9,10,11,12,13);1H;/q;;+1/p-1
InChIKeyNSOGCBAXBXRXGQ-UHFFFAOYSA-M
XLogP0.84
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.28
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2-methoxypropyl]-chloromercury with MolForge

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Related Compounds

4-Ethoxy-N-ethyl-6-methyl-1,3,5-triazin-2-amine
CID 21311
N,4-Diethyl-6-methoxy-1,3,5-triazin-2-amine
CID 21313
4-Ethoxy-N,6-diethyl-1,3,5-triazin-2-amine
CID 23295
1,3,5-Triazin-2-amine, N,4-diethyl-6-(1-methylethoxy)-
CID 3044741
1,3,5-Triazine-2,4-diamine, N-ethyl-6-methoxymethyl-N'-(1-methylethyl)-
CID 188779
(3-((4-Amino-6-methyl-1,3,5-triazin-2-yl)amino)-2-hydroxypropyl)bromomercury
CID 11971880
(3-((4-Amino-6-methyl-1,3,5-triazin-2-yl)amino)-2-hydroxypropyl)chloromercury
CID 11971881
2-N-(2-ethoxypropyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 112746508
Niosh/OV5471000
CID 146037495
4-Chloro-N-(2-methoxyethyl)-6-methyl-1,3,5-triazin-2-amine
CID 86647058
6-morpholin-2-yl-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 90025420
2-N-but-3-yn-2-yl-6-(1-methoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 118441104

Frequently Asked Questions

What is the IUPAC name of [3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2-methoxypropyl]-chloromercury?
The IUPAC name of [3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2-methoxypropyl]-chloromercury (CID 11971882) is [3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2-methoxypropyl]-chloromercury.
What is the SMILES notation for [3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2-methoxypropyl]-chloromercury?
The canonical SMILES for [3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2-methoxypropyl]-chloromercury is COC(CNc1nc(C)nc(N)n1)C[Hg]Cl.
What is the InChIKey of [3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2-methoxypropyl]-chloromercury?
The InChIKey is NSOGCBAXBXRXGQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H14N5O.ClH.Hg/c1-5(14-3)4-10-8-12-6(2)11-7(9)13-8;;/h5H,1,4H2,2-3H3,(H3,9,10,11,12,13);1H;/q;;+1/p-1.
What are the key properties of [3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2-methoxypropyl]-chloromercury?
[3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-2-methoxypropyl]-chloromercury has a molecular weight of 432.28 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 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-methoxypropyl]-chloromercury is sourced from PubChem (CID 11971882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).