4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzamide

C13H15N5O3 — CID 80874835

IUPAC4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzamide
SMILESCCNc1nc(OC)nc(Oc2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C13H15N5O3/c1-3-15-11-16-12(20-2)18-13(17-11)21-9-6-4-8(5-7-9)10(14)19/h4-7H,3H2,1-2H3,(H2,14,19)(H,15,16,17,18)
InChIKeySMICHDVNKGPERE-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.20
Rot. Bonds6

About 4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzamide

4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzamide (PubChem CID 80874835) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is 4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzamide.

Molecular Properties

Compound Name4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzamide
PubChem CID80874835
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Name4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzamide
SMILESCCNc1nc(OC)nc(Oc2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C13H15N5O3/c1-3-15-11-16-12(20-2)18-13(17-11)21-9-6-4-8(5-7-9)10(14)19/h4-7H,3H2,1-2H3,(H2,14,19)(H,15,16,17,18)
InChIKeySMICHDVNKGPERE-UHFFFAOYSA-N
XLogP1.20
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzamide 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

4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]benzamide
CID 80881678
N-ethyl-4-methoxy-6-(4-propan-2-ylphenoxy)-1,3,5-triazin-2-amine
CID 80865175
N-ethyl-4-methoxy-6-(4-nitrophenoxy)-1,3,5-triazin-2-amine
CID 80879017
N-[[4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]phenyl]methylidene]hydroxylamine
CID 705411
(1-methoxy-1-oxopropan-2-yl) 4-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]benzoate
CID 3131761
methyl 4-[[4-(benzylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate
CID 6958950
ethyl 4-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]benzoate
CID 797071
4-[[4-(4-carbamoylphenoxy)-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]benzamide
CID 162501088
4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxybenzamide
CID 80881436
4-chloro-N-ethyl-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine
CID 80870348
4-(4-chloro-3,5-dimethylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 80875034
methyl 4-[[4,6-bis(4-methoxycarbonylphenoxy)-1,3,5-triazin-2-yl]oxy]benzoate
CID 3094623

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzamide?
The IUPAC name of 4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzamide (CID 80874835) is 4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzamide.
What is the SMILES notation for 4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzamide?
The canonical SMILES for 4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzamide is CCNc1nc(OC)nc(Oc2ccc(C(N)=O)cc2)n1.
What is the InChIKey of 4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzamide?
The InChIKey is SMICHDVNKGPERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-3-15-11-16-12(20-2)18-13(17-11)21-9-6-4-8(5-7-9)10(14)19/h4-7H,3H2,1-2H3,(H2,14,19)(H,15,16,17,18).
What are the key properties of 4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzamide?
4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzamide has a molecular weight of 289.30 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzamide is sourced from PubChem (CID 80874835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).