2,4-dichloro-6-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]-2-methylpropoxy]-1,3,5-triazine

C14H9Cl6N9O3 — CID 154200189

IUPAC2,4-dichloro-6-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]-2-methylpropoxy]-1,3,5-triazine
SMILESCC(COc1nc(Cl)nc(Cl)n1)(COc1nc(Cl)nc(Cl)n1)COc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C14H9Cl6N9O3/c1-14(2-30-11-24-5(15)21-6(16)25-11,3-31-12-26-7(17)22-8(18)27-12)4-32-13-28-9(19)23-10(20)29-13/h2-4H2,1H3
InChIKeyAQXGIWJNDXJQGH-UHFFFAOYSA-N
MW564.00 g/mol
LogP3.71
Rot. Bonds9

About 2,4-dichloro-6-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]-2-methylpropoxy]-1,3,5-triazine

2,4-dichloro-6-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]-2-methylpropoxy]-1,3,5-triazine (PubChem CID 154200189) has the molecular formula C14H9Cl6N9O3 and a molecular weight of 564.00 g/mol. Its IUPAC name is 2,4-dichloro-6-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]-2-methylpropoxy]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]-2-methylpropoxy]-1,3,5-triazine
PubChem CID154200189
Molecular FormulaC14H9Cl6N9O3
Molecular Weight564.00 g/mol
Exact Mass560.90
IUPAC Name2,4-dichloro-6-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]-2-methylpropoxy]-1,3,5-triazine
SMILESCC(COc1nc(Cl)nc(Cl)n1)(COc1nc(Cl)nc(Cl)n1)COc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C14H9Cl6N9O3/c1-14(2-30-11-24-5(15)21-6(16)25-11,3-31-12-26-7(17)22-8(18)27-12)4-32-13-28-9(19)23-10(20)29-13/h2-4H2,1H3
InChIKeyAQXGIWJNDXJQGH-UHFFFAOYSA-N
XLogP3.71
TPSA143.70 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.00
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2,4-dichloro-6-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]-2-methylpropoxy]-1,3,5-triazine with MolForge

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Related Compounds

2,4-dichloro-6-(2,2-dimethylpropoxy)-1,3,5-triazine
CID 58543777
1-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]-N,N,2-trimethylpropan-2-amine
CID 79679199
2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]ethanol
CID 62859409
2-chloro-4-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]ethoxy]-6-methoxy-1,3,5-triazine
CID 14177471
2-[[4-chloro-6-(2-hydroxyethoxy)-1,3,5-triazin-2-yl]oxy]ethanol
CID 87430184
2,4-dichloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazine
CID 87430180
4-chloro-N-(2,2-dimethylpropyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 62858392
2-chloro-4,6-dioctadecoxy-1,3,5-triazine
CID 14236381
4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 62858534
4-chloro-N-(2-methoxy-2-methylpropyl)-6-propoxy-1,3,5-triazin-2-amine
CID 104764536
(4,6-dichloro-1,3,5-triazin-2-yl) hypoiodite
CID 90346653
2-chloro-4-ethoxy-6-prop-2-enoxy-1,3,5-triazine
CID 62857200

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]-2-methylpropoxy]-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]-2-methylpropoxy]-1,3,5-triazine (CID 154200189) is 2,4-dichloro-6-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]-2-methylpropoxy]-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]-2-methylpropoxy]-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]-2-methylpropoxy]-1,3,5-triazine is CC(COc1nc(Cl)nc(Cl)n1)(COc1nc(Cl)nc(Cl)n1)COc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]-2-methylpropoxy]-1,3,5-triazine?
The InChIKey is AQXGIWJNDXJQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl6N9O3/c1-14(2-30-11-24-5(15)21-6(16)25-11,3-31-12-26-7(17)22-8(18)27-12)4-32-13-28-9(19)23-10(20)29-13/h2-4H2,1H3.
What are the key properties of 2,4-dichloro-6-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]-2-methylpropoxy]-1,3,5-triazine?
2,4-dichloro-6-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]-2-methylpropoxy]-1,3,5-triazine has a molecular weight of 564.00 g/mol, XLogP of 3.71, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]-2-[(4,6-dichloro-1,3,5-triazin-2-yl)oxymethyl]-2-methylpropoxy]-1,3,5-triazine is sourced from PubChem (CID 154200189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).