N-(2,6-difluorophenyl)-2-[methyl(7H-purin-6-yl)amino]acetamide

C14H12F2N6O — CID 154748178

IUPACN-(2,6-difluorophenyl)-2-[methyl(7H-purin-6-yl)amino]acetamide
SMILESCN(CC(=O)Nc1c(F)cccc1F)c1ncnc2nc[nH]c12
InChIInChI=1S/C14H12F2N6O/c1-22(14-12-13(18-6-17-12)19-7-20-14)5-10(23)21-11-8(15)3-2-4-9(11)16/h2-4,6-7H,5H2,1H3,(H,21,23)(H,17,18,19,20)
InChIKeyYSUQMIIKFNTEPF-UHFFFAOYSA-N
MW318.29 g/mol
LogP1.71
Rot. Bonds4

About N-(2,6-difluorophenyl)-2-[methyl(7H-purin-6-yl)amino]acetamide

N-(2,6-difluorophenyl)-2-[methyl(7H-purin-6-yl)amino]acetamide (PubChem CID 154748178) has the molecular formula C14H12F2N6O and a molecular weight of 318.29 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-[methyl(7H-purin-6-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-[methyl(7H-purin-6-yl)amino]acetamide
PubChem CID154748178
Molecular FormulaC14H12F2N6O
Molecular Weight318.29 g/mol
Exact Mass318.10
IUPAC NameN-(2,6-difluorophenyl)-2-[methyl(7H-purin-6-yl)amino]acetamide
SMILESCN(CC(=O)Nc1c(F)cccc1F)c1ncnc2nc[nH]c12
InChIInChI=1S/C14H12F2N6O/c1-22(14-12-13(18-6-17-12)19-7-20-14)5-10(23)21-11-8(15)3-2-4-9(11)16/h2-4,6-7H,5H2,1H3,(H,21,23)(H,17,18,19,20)
InChIKeyYSUQMIIKFNTEPF-UHFFFAOYSA-N
XLogP1.71
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-[methyl(7H-purin-6-yl)amino]acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-[methyl(7H-purin-6-yl)amino]acetamide (CID 154748178) is N-(2,6-difluorophenyl)-2-[methyl(7H-purin-6-yl)amino]acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-[methyl(7H-purin-6-yl)amino]acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-[methyl(7H-purin-6-yl)amino]acetamide is CN(CC(=O)Nc1c(F)cccc1F)c1ncnc2nc[nH]c12.
What is the InChIKey of N-(2,6-difluorophenyl)-2-[methyl(7H-purin-6-yl)amino]acetamide?
The InChIKey is YSUQMIIKFNTEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N6O/c1-22(14-12-13(18-6-17-12)19-7-20-14)5-10(23)21-11-8(15)3-2-4-9(11)16/h2-4,6-7H,5H2,1H3,(H,21,23)(H,17,18,19,20).
What are the key properties of N-(2,6-difluorophenyl)-2-[methyl(7H-purin-6-yl)amino]acetamide?
N-(2,6-difluorophenyl)-2-[methyl(7H-purin-6-yl)amino]acetamide has a molecular weight of 318.29 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-[methyl(7H-purin-6-yl)amino]acetamide is sourced from PubChem (CID 154748178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).