N-[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]-N-(2-ethoxy-6-fluorophenyl)acetamide

C16H19F2N5O2 — CID 126506735

IUPACN-[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]-N-(2-ethoxy-6-fluorophenyl)acetamide
SMILESCCOc1cccc(F)c1N(C(C)=O)c1nc(N)nc(C(C)(C)F)n1
InChIInChI=1S/C16H19F2N5O2/c1-5-25-11-8-6-7-10(17)12(11)23(9(2)24)15-21-13(16(3,4)18)20-14(19)22-15/h6-8H,5H2,1-4H3,(H2,19,20,21,22)
InChIKeyYCJWHDRWGXMDDC-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.88
Rot. Bonds5

About N-[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]-N-(2-ethoxy-6-fluorophenyl)acetamide

N-[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]-N-(2-ethoxy-6-fluorophenyl)acetamide (PubChem CID 126506735) has the molecular formula C16H19F2N5O2 and a molecular weight of 351.36 g/mol. Its IUPAC name is N-[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]-N-(2-ethoxy-6-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]-N-(2-ethoxy-6-fluorophenyl)acetamide
PubChem CID126506735
Molecular FormulaC16H19F2N5O2
Molecular Weight351.36 g/mol
Exact Mass351.15
IUPAC NameN-[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]-N-(2-ethoxy-6-fluorophenyl)acetamide
SMILESCCOc1cccc(F)c1N(C(C)=O)c1nc(N)nc(C(C)(C)F)n1
InChIInChI=1S/C16H19F2N5O2/c1-5-25-11-8-6-7-10(17)12(11)23(9(2)24)15-21-13(16(3,4)18)20-14(19)22-15/h6-8H,5H2,1-4H3,(H2,19,20,21,22)
InChIKeyYCJWHDRWGXMDDC-UHFFFAOYSA-N
XLogP2.88
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]-N-(2-ethoxy-6-fluorophenyl)acetamide?
The IUPAC name of N-[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]-N-(2-ethoxy-6-fluorophenyl)acetamide (CID 126506735) is N-[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]-N-(2-ethoxy-6-fluorophenyl)acetamide.
What is the SMILES notation for N-[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]-N-(2-ethoxy-6-fluorophenyl)acetamide?
The canonical SMILES for N-[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]-N-(2-ethoxy-6-fluorophenyl)acetamide is CCOc1cccc(F)c1N(C(C)=O)c1nc(N)nc(C(C)(C)F)n1.
What is the InChIKey of N-[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]-N-(2-ethoxy-6-fluorophenyl)acetamide?
The InChIKey is YCJWHDRWGXMDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N5O2/c1-5-25-11-8-6-7-10(17)12(11)23(9(2)24)15-21-13(16(3,4)18)20-14(19)22-15/h6-8H,5H2,1-4H3,(H2,19,20,21,22).
What are the key properties of N-[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]-N-(2-ethoxy-6-fluorophenyl)acetamide?
N-[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]-N-(2-ethoxy-6-fluorophenyl)acetamide has a molecular weight of 351.36 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]-N-(2-ethoxy-6-fluorophenyl)acetamide is sourced from PubChem (CID 126506735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).