2-chloro-4,6-dimethoxy-1,3,5-triazine

C5H6ClN3O2 — CID 18450

IUPAC2-chloro-4,6-dimethoxy-1,3,5-triazine
SMILESCOc1nc(Cl)nc(OC)n1
InChIInChI=1S/C5H6ClN3O2/c1-10-4-7-3(6)8-5(9-4)11-2/h1-2H3
InChIKeyGPIQOFWTZXXOOV-UHFFFAOYSA-N
MW175.58 g/mol
LogP0.54
Rot. Bonds2

About 2-chloro-4,6-dimethoxy-1,3,5-triazine

2-chloro-4,6-dimethoxy-1,3,5-triazine (PubChem CID 18450) has the molecular formula C5H6ClN3O2 and a molecular weight of 175.58 g/mol. Its IUPAC name is 2-chloro-4,6-dimethoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4,6-dimethoxy-1,3,5-triazine
PubChem CID18450
Molecular FormulaC5H6ClN3O2
Molecular Weight175.58 g/mol
Exact Mass175.01
IUPAC Name2-chloro-4,6-dimethoxy-1,3,5-triazine
SMILESCOc1nc(Cl)nc(OC)n1
InChIInChI=1S/C5H6ClN3O2/c1-10-4-7-3(6)8-5(9-4)11-2/h1-2H3
InChIKeyGPIQOFWTZXXOOV-UHFFFAOYSA-N
XLogP0.54
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.58
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4,6-Trimethoxy-1,3,5-triazine
CID 13419
2,4-Dichloro-6-methoxy-3,5-triazine
CID 19267
2-Amino-4,6-dimethoxy-1,3,5-triazine
CID 27840
2-Azido-4,6-dimethoxy-1,3,5-triazine
CID 35499
4-Chloro-6-methoxy-1,3,5-triazin-2-amine
CID 23689
1-Fluoro-2,4,6-trimethoxy-1,3,5-triazin-1-ium
CID 17827063
2-Fluoro-4,6-dimethoxy-1,3,5-triazine
CID 150249762
2-Chloro-4,6-diethoxy-1,3,5-triazine
CID 35649
4-chloro-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine
CID 26319
Potassium 4,6-dimethoxy-1,3,5-triazin-2-olate
CID 23671963
2,4-Dimethoxy-6-(trifluoromethoxy)-1,3,5-triazine
CID 140232291
(4-Chloro-6-methoxy-1,3,5-triazin-2-yl)oxy-dimethylsulfanium
CID 134857488

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-dimethoxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4,6-dimethoxy-1,3,5-triazine (CID 18450) is 2-chloro-4,6-dimethoxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4,6-dimethoxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4,6-dimethoxy-1,3,5-triazine is COc1nc(Cl)nc(OC)n1.
What is the InChIKey of 2-chloro-4,6-dimethoxy-1,3,5-triazine?
The InChIKey is GPIQOFWTZXXOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN3O2/c1-10-4-7-3(6)8-5(9-4)11-2/h1-2H3.
What are the key properties of 2-chloro-4,6-dimethoxy-1,3,5-triazine?
2-chloro-4,6-dimethoxy-1,3,5-triazine has a molecular weight of 175.58 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-dimethoxy-1,3,5-triazine is sourced from PubChem (CID 18450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).