2-chloro-4-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]ethoxy]-6-methoxy-1,3,5-triazine

C10H10Cl2N6O4 — CID 14177471

IUPAC2-chloro-4-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]ethoxy]-6-methoxy-1,3,5-triazine
SMILESCOc1nc(Cl)nc(OCCOc2nc(Cl)nc(OC)n2)n1
InChIInChI=1S/C10H10Cl2N6O4/c1-19-7-13-5(11)15-9(17-7)21-3-4-22-10-16-6(12)14-8(18-10)20-2/h3-4H2,1-2H3
InChIKeyYWBFJGXGGWCSOV-UHFFFAOYSA-N
MW349.13 g/mol
LogP0.84
Rot. Bonds7

About 2-chloro-4-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]ethoxy]-6-methoxy-1,3,5-triazine

2-chloro-4-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]ethoxy]-6-methoxy-1,3,5-triazine (PubChem CID 14177471) has the molecular formula C10H10Cl2N6O4 and a molecular weight of 349.13 g/mol. Its IUPAC name is 2-chloro-4-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]ethoxy]-6-methoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]ethoxy]-6-methoxy-1,3,5-triazine
PubChem CID14177471
Molecular FormulaC10H10Cl2N6O4
Molecular Weight349.13 g/mol
Exact Mass348.01
IUPAC Name2-chloro-4-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]ethoxy]-6-methoxy-1,3,5-triazine
SMILESCOc1nc(Cl)nc(OCCOc2nc(Cl)nc(OC)n2)n1
InChIInChI=1S/C10H10Cl2N6O4/c1-19-7-13-5(11)15-9(17-7)21-3-4-22-10-16-6(12)14-8(18-10)20-2/h3-4H2,1-2H3
InChIKeyYWBFJGXGGWCSOV-UHFFFAOYSA-N
XLogP0.84
TPSA114.26 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.13
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]ethoxy]-6-methoxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]ethoxy]-6-methoxy-1,3,5-triazine (CID 14177471) is 2-chloro-4-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]ethoxy]-6-methoxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]ethoxy]-6-methoxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]ethoxy]-6-methoxy-1,3,5-triazine is COc1nc(Cl)nc(OCCOc2nc(Cl)nc(OC)n2)n1.
What is the InChIKey of 2-chloro-4-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]ethoxy]-6-methoxy-1,3,5-triazine?
The InChIKey is YWBFJGXGGWCSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N6O4/c1-19-7-13-5(11)15-9(17-7)21-3-4-22-10-16-6(12)14-8(18-10)20-2/h3-4H2,1-2H3.
What are the key properties of 2-chloro-4-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]ethoxy]-6-methoxy-1,3,5-triazine?
2-chloro-4-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]ethoxy]-6-methoxy-1,3,5-triazine has a molecular weight of 349.13 g/mol, XLogP of 0.84, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]ethoxy]-6-methoxy-1,3,5-triazine is sourced from PubChem (CID 14177471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).