N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide

C17H17FN6O — CID 124627986

IUPACN-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
SMILESCN(CC(=O)N[C@@H]1C[C@H]1c1cccc(F)c1)c1ncnc2nc[nH]c12
InChIInChI=1S/C17H17FN6O/c1-24(17-15-16(20-8-19-15)21-9-22-17)7-14(25)23-13-6-12(13)10-3-2-4-11(18)5-10/h2-5,8-9,12-13H,6-7H2,1H3,(H,23,25)(H,19,20,21,22)/t12-,13+/m0/s1
InChIKeyKLCLUIVWIZIXDJ-QWHCGFSZSA-N
MW340.36 g/mol
LogP1.60
Rot. Bonds5

About N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide

N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide (PubChem CID 124627986) has the molecular formula C17H17FN6O and a molecular weight of 340.36 g/mol. Its IUPAC name is N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
PubChem CID124627986
Molecular FormulaC17H17FN6O
Molecular Weight340.36 g/mol
Exact Mass340.14
IUPAC NameN-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
SMILESCN(CC(=O)N[C@@H]1C[C@H]1c1cccc(F)c1)c1ncnc2nc[nH]c12
InChIInChI=1S/C17H17FN6O/c1-24(17-15-16(20-8-19-15)21-9-22-17)7-14(25)23-13-6-12(13)10-3-2-4-11(18)5-10/h2-5,8-9,12-13H,6-7H2,1H3,(H,23,25)(H,19,20,21,22)/t12-,13+/m0/s1
InChIKeyKLCLUIVWIZIXDJ-QWHCGFSZSA-N
XLogP1.60
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide?
The IUPAC name of N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide (CID 124627986) is N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide.
What is the SMILES notation for N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide?
The canonical SMILES for N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide is CN(CC(=O)N[C@@H]1C[C@H]1c1cccc(F)c1)c1ncnc2nc[nH]c12.
What is the InChIKey of N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide?
The InChIKey is KLCLUIVWIZIXDJ-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H17FN6O/c1-24(17-15-16(20-8-19-15)21-9-22-17)7-14(25)23-13-6-12(13)10-3-2-4-11(18)5-10/h2-5,8-9,12-13H,6-7H2,1H3,(H,23,25)(H,19,20,21,22)/t12-,13+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide?
N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide has a molecular weight of 340.36 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide is sourced from PubChem (CID 124627986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).