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

C20H19FN6O3 — CID 27263523

IUPAC[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 2-[(2-phenylacetyl)amino]acetate
SMILESNc1nc(COC(=O)CNC(=O)Cc2ccccc2)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C20H19FN6O3/c21-14-6-8-15(9-7-14)24-20-26-16(25-19(22)27-20)12-30-18(29)11-23-17(28)10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,23,28)(H3,22,24,25,26,27)
InChIKeyQTUQOUDCMKJQLB-UHFFFAOYSA-N
MW410.41 g/mol
LogP1.74
Rot. Bonds8

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

[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 2-[(2-phenylacetyl)amino]acetate (PubChem CID 27263523) has the molecular formula C20H19FN6O3 and a molecular weight of 410.41 g/mol. Its IUPAC name is [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 2-[(2-phenylacetyl)amino]acetate.

Molecular Properties

Compound Name[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 2-[(2-phenylacetyl)amino]acetate
PubChem CID27263523
Molecular FormulaC20H19FN6O3
Molecular Weight410.41 g/mol
Exact Mass410.15
IUPAC Name[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 2-[(2-phenylacetyl)amino]acetate
SMILESNc1nc(COC(=O)CNC(=O)Cc2ccccc2)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C20H19FN6O3/c21-14-6-8-15(9-7-14)24-20-26-16(25-19(22)27-20)12-30-18(29)11-23-17(28)10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,23,28)(H3,22,24,25,26,27)
InChIKeyQTUQOUDCMKJQLB-UHFFFAOYSA-N
XLogP1.74
TPSA132.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Related Compounds

[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 2-(1,2-benzoxazol-3-yl)acetate
CID 9473466
[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 3-quinolin-2-ylpropanoate
CID 27275070
[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 5-methylfuran-2-carboxylate
CID 17420405
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(1H-indol-3-yl)acetate
CID 7593328
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(2-fluorophenyl)sulfanylacetate
CID 7593898
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(3,4-dichlorophenyl)acetate
CID 7593484
[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 2,4-dimethylquinoline-3-carboxylate
CID 46642179
[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 4-(trifluoromethoxy)benzoate
CID 27277785
[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 3-benzamidopropanoate
CID 22108401
[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 4-oxochromene-2-carboxylate
CID 40763101
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 2-methylcyclopropane-1-carboxylate
CID 47013914

Frequently Asked Questions

What is the IUPAC name of [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 2-[(2-phenylacetyl)amino]acetate?
The IUPAC name of [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 2-[(2-phenylacetyl)amino]acetate (CID 27263523) is [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 2-[(2-phenylacetyl)amino]acetate.
What is the SMILES notation for [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 2-[(2-phenylacetyl)amino]acetate?
The canonical SMILES for [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 2-[(2-phenylacetyl)amino]acetate is Nc1nc(COC(=O)CNC(=O)Cc2ccccc2)nc(Nc2ccc(F)cc2)n1.
What is the InChIKey of [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 2-[(2-phenylacetyl)amino]acetate?
The InChIKey is QTUQOUDCMKJQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O3/c21-14-6-8-15(9-7-14)24-20-26-16(25-19(22)27-20)12-30-18(29)11-23-17(28)10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,23,28)(H3,22,24,25,26,27).
What are the key properties of [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 2-[(2-phenylacetyl)amino]acetate?
[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 2-[(2-phenylacetyl)amino]acetate has a molecular weight of 410.41 g/mol, XLogP of 1.74, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 2-[(2-phenylacetyl)amino]acetate is sourced from PubChem (CID 27263523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).