2,4-dichloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazine

C9H13Cl2N3O3 — CID 87430180

IUPAC2,4-dichloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazine
SMILESCOCCCOCCOc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H13Cl2N3O3/c1-15-3-2-4-16-5-6-17-9-13-7(10)12-8(11)14-9/h2-6H2,1H3
InChIKeyVTSVKAFSCOMDGG-UHFFFAOYSA-N
MW282.13 g/mol
LogP1.61
Rot. Bonds8

About 2,4-dichloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazine

2,4-dichloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazine (PubChem CID 87430180) has the molecular formula C9H13Cl2N3O3 and a molecular weight of 282.13 g/mol. Its IUPAC name is 2,4-dichloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazine
PubChem CID87430180
Molecular FormulaC9H13Cl2N3O3
Molecular Weight282.13 g/mol
Exact Mass281.03
IUPAC Name2,4-dichloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazine
SMILESCOCCCOCCOc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H13Cl2N3O3/c1-15-3-2-4-16-5-6-17-9-13-7(10)12-8(11)14-9/h2-6H2,1H3
InChIKeyVTSVKAFSCOMDGG-UHFFFAOYSA-N
XLogP1.61
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazin-2-amine
CID 103176504
2-chloro-4-[2-(3-methoxypropoxy)ethoxy]-6-pyrazol-1-yl-1,3,5-triazine
CID 103177489
4-chloro-N,N-diethyl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine
CID 104561349
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-(2-butoxyethoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
CID 55124098
2-chloro-4-[2-(2-methoxyethoxy)ethoxy]-6-pyrazol-1-yl-1,3,5-triazine
CID 104561391
2-chloro-6-[2-(3-methoxypropoxy)ethoxy]pyridine
CID 103177517
2-chloro-4-imidazol-1-yl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazine
CID 104561424
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
2-[2-(3-methoxypropoxy)ethoxy]pyrimidine-5-carbaldehyde
CID 103178190
2-chloro-4-(3-methoxypropoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
CID 55124429
4-chloro-6-[2-(3-methoxypropoxy)ethoxy]-5-methyl-2-propan-2-ylpyrimidine
CID 103177544

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazine (CID 87430180) is 2,4-dichloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazine is COCCCOCCOc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazine?
The InChIKey is VTSVKAFSCOMDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2N3O3/c1-15-3-2-4-16-5-6-17-9-13-7(10)12-8(11)14-9/h2-6H2,1H3.
What are the key properties of 2,4-dichloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazine?
2,4-dichloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazine has a molecular weight of 282.13 g/mol, XLogP of 1.61, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazine is sourced from PubChem (CID 87430180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).