2-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide

C18H25FN8O — CID 30721951

IUPAC2-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCN(C)c1nc(N)nc(CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C18H25FN8O/c1-25(2)18-23-15(22-17(20)24-18)11-26-7-9-27(10-8-26)12-16(28)21-14-5-3-13(19)4-6-14/h3-6H,7-12H2,1-2H3,(H,21,28)(H2,20,22,23,24)
InChIKeyFOCZWTVMPMYLAO-UHFFFAOYSA-N
MW388.45 g/mol
LogP0.42
Rot. Bonds6

About 2-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide

2-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 30721951) has the molecular formula C18H25FN8O and a molecular weight of 388.45 g/mol. Its IUPAC name is 2-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID30721951
Molecular FormulaC18H25FN8O
Molecular Weight388.45 g/mol
Exact Mass388.21
IUPAC Name2-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCN(C)c1nc(N)nc(CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C18H25FN8O/c1-25(2)18-23-15(22-17(20)24-18)11-26-7-9-27(10-8-26)12-16(28)21-14-5-3-13(19)4-6-14/h3-6H,7-12H2,1-2H3,(H,21,28)(H2,20,22,23,24)
InChIKeyFOCZWTVMPMYLAO-UHFFFAOYSA-N
XLogP0.42
TPSA103.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide (CID 30721951) is 2-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide is CN(C)c1nc(N)nc(CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n1.
What is the InChIKey of 2-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is FOCZWTVMPMYLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN8O/c1-25(2)18-23-15(22-17(20)24-18)11-26-7-9-27(10-8-26)12-16(28)21-14-5-3-13(19)4-6-14/h3-6H,7-12H2,1-2H3,(H,21,28)(H2,20,22,23,24).
What are the key properties of 2-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
2-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 388.45 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 30721951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).