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

C7H11N3O2 — CID 12809

IUPAC2-ethyl-4,6-dimethoxy-1,3,5-triazine
SMILESCCc1nc(OC)nc(OC)n1
InChIInChI=1S/C7H11N3O2/c1-4-5-8-6(11-2)10-7(9-5)12-3/h4H2,1-3H3
InChIKeyZBSJXXRBEKPWIH-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.45
Rot. Bonds3

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

2-ethyl-4,6-dimethoxy-1,3,5-triazine (PubChem CID 12809) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-ethyl-4,6-dimethoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-ethyl-4,6-dimethoxy-1,3,5-triazine
PubChem CID12809
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2-ethyl-4,6-dimethoxy-1,3,5-triazine
SMILESCCc1nc(OC)nc(OC)n1
InChIInChI=1S/C7H11N3O2/c1-4-5-8-6(11-2)10-7(9-5)12-3/h4H2,1-3H3
InChIKeyZBSJXXRBEKPWIH-UHFFFAOYSA-N
XLogP0.45
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-4-methoxy-6-methyl-1,3,5-triazine
CID 15466
4-Ethyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 199901
4-Ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 69701
1,3,5-Triazin-2-amine, 4-ethoxy-6-ethyl-
CID 121205
1,3,5-Triazin-2-amine, 4-methoxy-6-propyl-
CID 199263
2,4,6-Triethyltriazine
CID 13889
1,3,5-Triazin-2-acetonitrile, 4-amino-6-methoxy-
CID 199944
1,3,5-Triazine, 2,4-dimethoxy-6-methyl-
CID 19904
4-Tert-butyl-6-methoxy-1,3,5-triazin-2-amine
CID 698866
2,4-Dimethoxy-6-propan-2-yl-1,3,5-triazine
CID 86053141
2,4-Dimethoxy-6-(2-methylpropyl)-1,3,5-triazine
CID 86053140
2-Methoxy-4,6-dimethyl-1,3,5-triazine
CID 19197

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,6-dimethoxy-1,3,5-triazine?
The IUPAC name of 2-ethyl-4,6-dimethoxy-1,3,5-triazine (CID 12809) is 2-ethyl-4,6-dimethoxy-1,3,5-triazine.
What is the SMILES notation for 2-ethyl-4,6-dimethoxy-1,3,5-triazine?
The canonical SMILES for 2-ethyl-4,6-dimethoxy-1,3,5-triazine is CCc1nc(OC)nc(OC)n1.
What is the InChIKey of 2-ethyl-4,6-dimethoxy-1,3,5-triazine?
The InChIKey is ZBSJXXRBEKPWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-4-5-8-6(11-2)10-7(9-5)12-3/h4H2,1-3H3.
What are the key properties of 2-ethyl-4,6-dimethoxy-1,3,5-triazine?
2-ethyl-4,6-dimethoxy-1,3,5-triazine has a molecular weight of 169.18 g/mol, XLogP of 0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,6-dimethoxy-1,3,5-triazine is sourced from PubChem (CID 12809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).