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

C16H20N6O4 — CID 25463220

IUPAC[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-[(3-methoxybenzoyl)amino]acetate
SMILESCOc1cccc(C(=O)NCC(=O)OCc2nc(N)nc(N(C)C)n2)c1
InChIInChI=1S/C16H20N6O4/c1-22(2)16-20-12(19-15(17)21-16)9-26-13(23)8-18-14(24)10-5-4-6-11(7-10)25-3/h4-7H,8-9H2,1-3H3,(H,18,24)(H2,17,19,20,21)
InChIKeyUHPNZOJVTSUACR-UHFFFAOYSA-N
MW360.37 g/mol
LogP0.00
Rot. Bonds7

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

[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-[(3-methoxybenzoyl)amino]acetate (PubChem CID 25463220) has the molecular formula C16H20N6O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-[(3-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-[(3-methoxybenzoyl)amino]acetate
PubChem CID25463220
Molecular FormulaC16H20N6O4
Molecular Weight360.37 g/mol
Exact Mass360.15
IUPAC Name[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-[(3-methoxybenzoyl)amino]acetate
SMILESCOc1cccc(C(=O)NCC(=O)OCc2nc(N)nc(N(C)C)n2)c1
InChIInChI=1S/C16H20N6O4/c1-22(2)16-20-12(19-15(17)21-16)9-26-13(23)8-18-14(24)10-5-4-6-11(7-10)25-3/h4-7H,8-9H2,1-3H3,(H,18,24)(H2,17,19,20,21)
InChIKeyUHPNZOJVTSUACR-UHFFFAOYSA-N
XLogP0.00
TPSA132.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Related Compounds

[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 25463233
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 25463039
(4-fluorophenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 7899297
(2,5-dimethylphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 7882414
phenacyl 2-[(3-methoxybenzoyl)amino]acetate
CID 2165686
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 7882402
(5-acetyl-2-methoxyphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 7882051
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 7881882
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 8573952
[2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 8573927
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 42577122
[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 31145131

Frequently Asked Questions

What is the IUPAC name of [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-[(3-methoxybenzoyl)amino]acetate?
The IUPAC name of [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-[(3-methoxybenzoyl)amino]acetate (CID 25463220) is [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-[(3-methoxybenzoyl)amino]acetate.
What is the SMILES notation for [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-[(3-methoxybenzoyl)amino]acetate?
The canonical SMILES for [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-[(3-methoxybenzoyl)amino]acetate is COc1cccc(C(=O)NCC(=O)OCc2nc(N)nc(N(C)C)n2)c1.
What is the InChIKey of [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-[(3-methoxybenzoyl)amino]acetate?
The InChIKey is UHPNZOJVTSUACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O4/c1-22(2)16-20-12(19-15(17)21-16)9-26-13(23)8-18-14(24)10-5-4-6-11(7-10)25-3/h4-7H,8-9H2,1-3H3,(H,18,24)(H2,17,19,20,21).
What are the key properties of [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-[(3-methoxybenzoyl)amino]acetate?
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-[(3-methoxybenzoyl)amino]acetate has a molecular weight of 360.37 g/mol, XLogP of 0.00, 7 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-[(3-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 25463220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).