(4,6-dimethoxy-1,3,5-triazin-2-yl) 4-methoxybenzoate

C13H13N3O5 — CID 14783084

IUPAC(4,6-dimethoxy-1,3,5-triazin-2-yl) 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2nc(OC)nc(OC)n2)cc1
InChIInChI=1S/C13H13N3O5/c1-18-9-6-4-8(5-7-9)10(17)21-13-15-11(19-2)14-12(16-13)20-3/h4-7H,1-3H3
InChIKeyLSOYSPLPFNCUOE-UHFFFAOYSA-N
MW291.26 g/mol
LogP1.12
Rot. Bonds5

About (4,6-dimethoxy-1,3,5-triazin-2-yl) 4-methoxybenzoate

(4,6-dimethoxy-1,3,5-triazin-2-yl) 4-methoxybenzoate (PubChem CID 14783084) has the molecular formula C13H13N3O5 and a molecular weight of 291.26 g/mol. Its IUPAC name is (4,6-dimethoxy-1,3,5-triazin-2-yl) 4-methoxybenzoate.

Molecular Properties

Compound Name(4,6-dimethoxy-1,3,5-triazin-2-yl) 4-methoxybenzoate
PubChem CID14783084
Molecular FormulaC13H13N3O5
Molecular Weight291.26 g/mol
Exact Mass291.09
IUPAC Name(4,6-dimethoxy-1,3,5-triazin-2-yl) 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2nc(OC)nc(OC)n2)cc1
InChIInChI=1S/C13H13N3O5/c1-18-9-6-4-8(5-7-9)10(17)21-13-15-11(19-2)14-12(16-13)20-3/h4-7H,1-3H3
InChIKeyLSOYSPLPFNCUOE-UHFFFAOYSA-N
XLogP1.12
TPSA92.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-(4-Ethylamino-6-methylsulfanyl-[1,3,5]triazin-2-yloxy)-benzoic acid methyl ester
CID 646307
3,3'-((6-Ethoxy-1,3,5-triazine-2,4-diyl)bis(oxy))dibenzoic acid
CID 660047
Methyl 4-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]benzoate
CID 742830
Ethyl 4-{[4-(dimethylamino)-6-(methylthio)-1,3,5-triazin-2-yl]oxy}benzoate
CID 895539
Methyl 4-{[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]oxy}benzoate
CID 969719
4-[[4-(Dimethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]oxy]benzoic acid methyl ester
CID 1302670
Methyl 4-{[4-(diethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]oxy}benzoate
CID 2243514
2-[4-[[4,6-Bis[4-[2-(trimethylazaniumyl)ethoxycarbonyl]phenoxy]-1,3,5-triazin-2-yl]oxy]benzoyl]oxyethyl-trimethylazanium
CID 91885433
Methyl 4-{[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy}benzoate
CID 742833
Methyl 4-{[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy}benzoate
CID 805286
2-Amino-2-oxoethyl 4-{[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy}benzoate
CID 3243755
Ethyl 4-{[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]oxy}benzoate
CID 646098

Frequently Asked Questions

What is the IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl) 4-methoxybenzoate?
The IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl) 4-methoxybenzoate (CID 14783084) is (4,6-dimethoxy-1,3,5-triazin-2-yl) 4-methoxybenzoate.
What is the SMILES notation for (4,6-dimethoxy-1,3,5-triazin-2-yl) 4-methoxybenzoate?
The canonical SMILES for (4,6-dimethoxy-1,3,5-triazin-2-yl) 4-methoxybenzoate is COc1ccc(C(=O)Oc2nc(OC)nc(OC)n2)cc1.
What is the InChIKey of (4,6-dimethoxy-1,3,5-triazin-2-yl) 4-methoxybenzoate?
The InChIKey is LSOYSPLPFNCUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O5/c1-18-9-6-4-8(5-7-9)10(17)21-13-15-11(19-2)14-12(16-13)20-3/h4-7H,1-3H3.
What are the key properties of (4,6-dimethoxy-1,3,5-triazin-2-yl) 4-methoxybenzoate?
(4,6-dimethoxy-1,3,5-triazin-2-yl) 4-methoxybenzoate has a molecular weight of 291.26 g/mol, XLogP of 1.12, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethoxy-1,3,5-triazin-2-yl) 4-methoxybenzoate is sourced from PubChem (CID 14783084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).