2-(3-fluorophenyl)-N-[2-(7H-purin-6-ylamino)ethyl]acetamide

C15H15FN6O — CID 51102003

IUPAC2-(3-fluorophenyl)-N-[2-(7H-purin-6-ylamino)ethyl]acetamide
SMILESO=C(Cc1cccc(F)c1)NCCNc1ncnc2nc[nH]c12
InChIInChI=1S/C15H15FN6O/c16-11-3-1-2-10(6-11)7-12(23)17-4-5-18-14-13-15(20-8-19-13)22-9-21-14/h1-3,6,8-9H,4-5,7H2,(H,17,23)(H2,18,19,20,21,22)
InChIKeyGDOVQJHXWYOYQU-UHFFFAOYSA-N
MW314.32 g/mol
LogP1.26
Rot. Bonds6

About 2-(3-fluorophenyl)-N-[2-(7H-purin-6-ylamino)ethyl]acetamide

2-(3-fluorophenyl)-N-[2-(7H-purin-6-ylamino)ethyl]acetamide (PubChem CID 51102003) has the molecular formula C15H15FN6O and a molecular weight of 314.32 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[2-(7H-purin-6-ylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[2-(7H-purin-6-ylamino)ethyl]acetamide
PubChem CID51102003
Molecular FormulaC15H15FN6O
Molecular Weight314.32 g/mol
Exact Mass314.13
IUPAC Name2-(3-fluorophenyl)-N-[2-(7H-purin-6-ylamino)ethyl]acetamide
SMILESO=C(Cc1cccc(F)c1)NCCNc1ncnc2nc[nH]c12
InChIInChI=1S/C15H15FN6O/c16-11-3-1-2-10(6-11)7-12(23)17-4-5-18-14-13-15(20-8-19-13)22-9-21-14/h1-3,6,8-9H,4-5,7H2,(H,17,23)(H2,18,19,20,21,22)
InChIKeyGDOVQJHXWYOYQU-UHFFFAOYSA-N
XLogP1.26
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(7H-purin-6-ylamino)propanamide
CID 42507459
2-(3-fluorophenyl)-N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]acetamide
CID 133300301
N-[2-(3-fluorophenyl)-2-methylpropyl]-7H-purin-6-amine
CID 133308417
N-[2-(3-methylphenyl)ethyl]-7H-purin-6-amine
CID 62314113
N'-benzyl-N'-methyl-N-(7H-purin-6-yl)ethane-1,2-diamine
CID 756726
N-(3-aminopropyl)-2-(3-fluorophenyl)acetamide
CID 24690236
2-chloro-N-[2-(3-fluorophenyl)ethyl]-7H-purin-6-amine
CID 104697506
3-(7H-purin-6-ylamino)-N-(pyridin-2-ylmethyl)propanamide
CID 42537147
2,2-dimethyl-4-(7H-purin-6-ylamino)butanoic acid
CID 114285512
2-(7H-purin-6-ylamino)ethyl carbamate
CID 83205529
N-[2-(3-fluorophenoxy)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 75479593
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-7H-purin-6-amine
CID 39801917

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[2-(7H-purin-6-ylamino)ethyl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[2-(7H-purin-6-ylamino)ethyl]acetamide (CID 51102003) is 2-(3-fluorophenyl)-N-[2-(7H-purin-6-ylamino)ethyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[2-(7H-purin-6-ylamino)ethyl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[2-(7H-purin-6-ylamino)ethyl]acetamide is O=C(Cc1cccc(F)c1)NCCNc1ncnc2nc[nH]c12.
What is the InChIKey of 2-(3-fluorophenyl)-N-[2-(7H-purin-6-ylamino)ethyl]acetamide?
The InChIKey is GDOVQJHXWYOYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN6O/c16-11-3-1-2-10(6-11)7-12(23)17-4-5-18-14-13-15(20-8-19-13)22-9-21-14/h1-3,6,8-9H,4-5,7H2,(H,17,23)(H2,18,19,20,21,22).
What are the key properties of 2-(3-fluorophenyl)-N-[2-(7H-purin-6-ylamino)ethyl]acetamide?
2-(3-fluorophenyl)-N-[2-(7H-purin-6-ylamino)ethyl]acetamide has a molecular weight of 314.32 g/mol, XLogP of 1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[2-(7H-purin-6-ylamino)ethyl]acetamide is sourced from PubChem (CID 51102003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).