2-(2-chloroethoxy)-4,6-dimethoxy-1,3,5-triazine

C7H10ClN3O3 — CID 3638442

IUPAC2-(2-chloroethoxy)-4,6-dimethoxy-1,3,5-triazine
SMILESCOc1nc(OC)nc(OCCCl)n1
InChIInChI=1S/C7H10ClN3O3/c1-12-5-9-6(13-2)11-7(10-5)14-4-3-8/h3-4H2,1-2H3
InChIKeyDLBULWVAUWEGND-UHFFFAOYSA-N
MW219.63 g/mol
LogP0.51
Rot. Bonds5

About 2-(2-chloroethoxy)-4,6-dimethoxy-1,3,5-triazine

2-(2-chloroethoxy)-4,6-dimethoxy-1,3,5-triazine (PubChem CID 3638442) has the molecular formula C7H10ClN3O3 and a molecular weight of 219.63 g/mol. Its IUPAC name is 2-(2-chloroethoxy)-4,6-dimethoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-(2-chloroethoxy)-4,6-dimethoxy-1,3,5-triazine
PubChem CID3638442
Molecular FormulaC7H10ClN3O3
Molecular Weight219.63 g/mol
Exact Mass219.04
IUPAC Name2-(2-chloroethoxy)-4,6-dimethoxy-1,3,5-triazine
SMILESCOc1nc(OC)nc(OCCCl)n1
InChIInChI=1S/C7H10ClN3O3/c1-12-5-9-6(13-2)11-7(10-5)14-4-3-8/h3-4H2,1-2H3
InChIKeyDLBULWVAUWEGND-UHFFFAOYSA-N
XLogP0.51
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.63
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2-chloroethoxy)-4,6-dimethoxy-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4,6-Triethoxy-1,3,5-triazine
CID 13440
2,4-Dichloro-6-ethoxy-1,3,5-triazine
CID 29035
2-Chloro-4,6-diethoxy-1,3,5-triazine
CID 35649
2,4,6-Tris(2-chloroethoxy)-1,3,5-triazine
CID 13742
6-(2-Chloroethoxy)-N,N,N',N'-tetramethyl-1,3,5-triazine-2,4-diamine
CID 618604
2-(2-Chloroethoxy)-4,6-dichloro-symm-triazine
CID 12591581
4-(2-Chloroethoxy)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine
CID 598520
4-(2-Chloroethoxy)-6-(dimethylamino)-1,3,5-triazin-2-yl(methyl)cyanamide
CID 613524
6-(2-Chloroethoxy)-N-methoxy-N,N',N'-trimethyl-1,3,5-triazine-2,4-diamine
CID 615749
2-Chloroethoxymethyl-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]cyanamide
CID 3091043
4-(2-Chloroethoxy)-6-ethoxy-N,N-dimethyl-1,3,5-triazin-2-amine
CID 23268774
2-Chloro-4-ethoxy-6-methoxy-1,3,5-triazine
CID 19010699

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethoxy)-4,6-dimethoxy-1,3,5-triazine?
The IUPAC name of 2-(2-chloroethoxy)-4,6-dimethoxy-1,3,5-triazine (CID 3638442) is 2-(2-chloroethoxy)-4,6-dimethoxy-1,3,5-triazine.
What is the SMILES notation for 2-(2-chloroethoxy)-4,6-dimethoxy-1,3,5-triazine?
The canonical SMILES for 2-(2-chloroethoxy)-4,6-dimethoxy-1,3,5-triazine is COc1nc(OC)nc(OCCCl)n1.
What is the InChIKey of 2-(2-chloroethoxy)-4,6-dimethoxy-1,3,5-triazine?
The InChIKey is DLBULWVAUWEGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O3/c1-12-5-9-6(13-2)11-7(10-5)14-4-3-8/h3-4H2,1-2H3.
What are the key properties of 2-(2-chloroethoxy)-4,6-dimethoxy-1,3,5-triazine?
2-(2-chloroethoxy)-4,6-dimethoxy-1,3,5-triazine has a molecular weight of 219.63 g/mol, XLogP of 0.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethoxy)-4,6-dimethoxy-1,3,5-triazine is sourced from PubChem (CID 3638442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).