[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-[(2-ethoxybenzoyl)amino]acetate

C17H22N6O4 — CID 25463039

IUPAC[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccccc1C(=O)NCC(=O)OCc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C17H22N6O4/c1-4-26-12-8-6-5-7-11(12)15(25)19-9-14(24)27-10-13-20-16(18)22-17(21-13)23(2)3/h5-8H,4,9-10H2,1-3H3,(H,19,25)(H2,18,20,21,22)
InChIKeyZQILQWFJGCBDIS-UHFFFAOYSA-N
MW374.40 g/mol
LogP0.39
Rot. Bonds8

About [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-[(2-ethoxybenzoyl)amino]acetate

[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-[(2-ethoxybenzoyl)amino]acetate (PubChem CID 25463039) has the molecular formula C17H22N6O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-[(2-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-[(2-ethoxybenzoyl)amino]acetate
PubChem CID25463039
Molecular FormulaC17H22N6O4
Molecular Weight374.40 g/mol
Exact Mass374.17
IUPAC Name[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccccc1C(=O)NCC(=O)OCc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C17H22N6O4/c1-4-26-12-8-6-5-7-11(12)15(25)19-9-14(24)27-10-13-20-16(18)22-17(21-13)23(2)3/h5-8H,4,9-10H2,1-3H3,(H,19,25)(H2,18,20,21,22)
InChIKeyZQILQWFJGCBDIS-UHFFFAOYSA-N
XLogP0.39
TPSA132.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-[(2-ethoxybenzoyl)amino]acetate with MolForge

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Related Compounds

ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
(4-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807819
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 25463220
(2-methylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807817
(2-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7951719
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 25463233
[2-(trifluoromethyl)phenyl]methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807869
2-(3-chlorophenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 16526656
(2-phenyl-1,3-thiazol-5-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4787088
(4-pyrazol-1-ylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 16571120
(1,3-dioxoisoindol-2-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807779
2-(3-methylphenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807719

Frequently Asked Questions

What is the IUPAC name of [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-[(2-ethoxybenzoyl)amino]acetate?
The IUPAC name of [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-[(2-ethoxybenzoyl)amino]acetate (CID 25463039) is [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-[(2-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-[(2-ethoxybenzoyl)amino]acetate?
The canonical SMILES for [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-[(2-ethoxybenzoyl)amino]acetate is CCOc1ccccc1C(=O)NCC(=O)OCc1nc(N)nc(N(C)C)n1.
What is the InChIKey of [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-[(2-ethoxybenzoyl)amino]acetate?
The InChIKey is ZQILQWFJGCBDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O4/c1-4-26-12-8-6-5-7-11(12)15(25)19-9-14(24)27-10-13-20-16(18)22-17(21-13)23(2)3/h5-8H,4,9-10H2,1-3H3,(H,19,25)(H2,18,20,21,22).
What are the key properties of [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-[(2-ethoxybenzoyl)amino]acetate?
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-[(2-ethoxybenzoyl)amino]acetate has a molecular weight of 374.40 g/mol, XLogP of 0.39, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-[(2-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 25463039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).