(4,6-diamino-1,3,5-triazin-2-yl)methyl 3-(ethoxymethyl)-4-methoxybenzoate

C15H19N5O4 — CID 8619399

IUPAC(4,6-diamino-1,3,5-triazin-2-yl)methyl 3-(ethoxymethyl)-4-methoxybenzoate
SMILESCCOCc1cc(C(=O)OCc2nc(N)nc(N)n2)ccc1OC
InChIInChI=1S/C15H19N5O4/c1-3-23-7-10-6-9(4-5-11(10)22-2)13(21)24-8-12-18-14(16)20-15(17)19-12/h4-6H,3,7-8H2,1-2H3,(H4,16,17,18,19,20)
InChIKeyGEIQOUZYGDLQBO-UHFFFAOYSA-N
MW333.35 g/mol
LogP0.94
Rot. Bonds7

About (4,6-diamino-1,3,5-triazin-2-yl)methyl 3-(ethoxymethyl)-4-methoxybenzoate

(4,6-diamino-1,3,5-triazin-2-yl)methyl 3-(ethoxymethyl)-4-methoxybenzoate (PubChem CID 8619399) has the molecular formula C15H19N5O4 and a molecular weight of 333.35 g/mol. Its IUPAC name is (4,6-diamino-1,3,5-triazin-2-yl)methyl 3-(ethoxymethyl)-4-methoxybenzoate.

Molecular Properties

Compound Name(4,6-diamino-1,3,5-triazin-2-yl)methyl 3-(ethoxymethyl)-4-methoxybenzoate
PubChem CID8619399
Molecular FormulaC15H19N5O4
Molecular Weight333.35 g/mol
Exact Mass333.14
IUPAC Name(4,6-diamino-1,3,5-triazin-2-yl)methyl 3-(ethoxymethyl)-4-methoxybenzoate
SMILESCCOCc1cc(C(=O)OCc2nc(N)nc(N)n2)ccc1OC
InChIInChI=1S/C15H19N5O4/c1-3-23-7-10-6-9(4-5-11(10)22-2)13(21)24-8-12-18-14(16)20-15(17)19-12/h4-6H,3,7-8H2,1-2H3,(H4,16,17,18,19,20)
InChIKeyGEIQOUZYGDLQBO-UHFFFAOYSA-N
XLogP0.94
TPSA135.47 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate
CID 8619530
[2-(4-carbamoylanilino)-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate
CID 8618837
(2-benzamido-2-oxoethyl) 3-(ethoxymethyl)-4-methoxybenzoate
CID 8619174
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-ethoxy-3-methoxybenzoate
CID 7778835
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate
CID 8618711
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate
CID 8619126
[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(ethoxymethyl)-4-methoxybenzoate
CID 8619206
[2-[4-[(1S)-1-acetamidoethyl]phenyl]-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate
CID 9478773
(4,6-diamino-1,3,5-triazin-2-yl)methyl 3-(methoxymethyl)benzoate
CID 8923474
(5-acetyl-2-ethoxyphenyl)methyl 3,4-dimethoxybenzoate
CID 2630514
(5-acetyl-2-methoxyphenyl)methyl pyridine-4-carboxylate
CID 2626045
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-methoxy-4-(3-methylbutoxy)benzoate
CID 51485366

Frequently Asked Questions

What is the IUPAC name of (4,6-diamino-1,3,5-triazin-2-yl)methyl 3-(ethoxymethyl)-4-methoxybenzoate?
The IUPAC name of (4,6-diamino-1,3,5-triazin-2-yl)methyl 3-(ethoxymethyl)-4-methoxybenzoate (CID 8619399) is (4,6-diamino-1,3,5-triazin-2-yl)methyl 3-(ethoxymethyl)-4-methoxybenzoate.
What is the SMILES notation for (4,6-diamino-1,3,5-triazin-2-yl)methyl 3-(ethoxymethyl)-4-methoxybenzoate?
The canonical SMILES for (4,6-diamino-1,3,5-triazin-2-yl)methyl 3-(ethoxymethyl)-4-methoxybenzoate is CCOCc1cc(C(=O)OCc2nc(N)nc(N)n2)ccc1OC.
What is the InChIKey of (4,6-diamino-1,3,5-triazin-2-yl)methyl 3-(ethoxymethyl)-4-methoxybenzoate?
The InChIKey is GEIQOUZYGDLQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4/c1-3-23-7-10-6-9(4-5-11(10)22-2)13(21)24-8-12-18-14(16)20-15(17)19-12/h4-6H,3,7-8H2,1-2H3,(H4,16,17,18,19,20).
What are the key properties of (4,6-diamino-1,3,5-triazin-2-yl)methyl 3-(ethoxymethyl)-4-methoxybenzoate?
(4,6-diamino-1,3,5-triazin-2-yl)methyl 3-(ethoxymethyl)-4-methoxybenzoate has a molecular weight of 333.35 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-diamino-1,3,5-triazin-2-yl)methyl 3-(ethoxymethyl)-4-methoxybenzoate is sourced from PubChem (CID 8619399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).