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

C15H20FN7O — CID 17451239

IUPAC2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)Cc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C15H20FN7O/c1-22(2)15-20-12(19-14(17)21-15)8-23(3)9-13(24)18-11-6-4-5-10(16)7-11/h4-7H,8-9H2,1-3H3,(H,18,24)(H2,17,19,20,21)
InChIKeyKQYLMJMGPVDEEI-UHFFFAOYSA-N
MW333.37 g/mol
LogP0.73
Rot. Bonds6

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

2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide (PubChem CID 17451239) has the molecular formula C15H20FN7O and a molecular weight of 333.37 g/mol. Its IUPAC name is 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide
PubChem CID17451239
Molecular FormulaC15H20FN7O
Molecular Weight333.37 g/mol
Exact Mass333.17
IUPAC Name2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)Cc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C15H20FN7O/c1-22(2)15-20-12(19-14(17)21-15)8-23(3)9-13(24)18-11-6-4-5-10(16)7-11/h4-7H,8-9H2,1-3H3,(H,18,24)(H2,17,19,20,21)
InChIKeyKQYLMJMGPVDEEI-UHFFFAOYSA-N
XLogP0.73
TPSA100.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide (CID 17451239) is 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide is CN(CC(=O)Nc1cccc(F)c1)Cc1nc(N)nc(N(C)C)n1.
What is the InChIKey of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide?
The InChIKey is KQYLMJMGPVDEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN7O/c1-22(2)15-20-12(19-14(17)21-15)8-23(3)9-13(24)18-11-6-4-5-10(16)7-11/h4-7H,8-9H2,1-3H3,(H,18,24)(H2,17,19,20,21).
What are the key properties of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide?
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide has a molecular weight of 333.37 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 17451239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).