N-[(3-fluorophenyl)methyl]-N-methyl-7H-purin-6-amine

C13H12FN5 — CID 94145814

IUPACN-[(3-fluorophenyl)methyl]-N-methyl-7H-purin-6-amine
SMILESCN(Cc1cccc(F)c1)c1ncnc2nc[nH]c12
InChIInChI=1S/C13H12FN5/c1-19(6-9-3-2-4-10(14)5-9)13-11-12(16-7-15-11)17-8-18-13/h2-5,7-8H,6H2,1H3,(H,15,16,17,18)
InChIKeySXUPDUMZXSOHLQ-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.13
Rot. Bonds3

About N-[(3-fluorophenyl)methyl]-N-methyl-7H-purin-6-amine

N-[(3-fluorophenyl)methyl]-N-methyl-7H-purin-6-amine (PubChem CID 94145814) has the molecular formula C13H12FN5 and a molecular weight of 257.27 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-methyl-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-methyl-7H-purin-6-amine
PubChem CID94145814
Molecular FormulaC13H12FN5
Molecular Weight257.27 g/mol
Exact Mass257.11
IUPAC NameN-[(3-fluorophenyl)methyl]-N-methyl-7H-purin-6-amine
SMILESCN(Cc1cccc(F)c1)c1ncnc2nc[nH]c12
InChIInChI=1S/C13H12FN5/c1-19(6-9-3-2-4-10(14)5-9)13-11-12(16-7-15-11)17-8-18-13/h2-5,7-8H,6H2,1H3,(H,15,16,17,18)
InChIKeySXUPDUMZXSOHLQ-UHFFFAOYSA-N
XLogP2.13
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-aminophenyl)methyl]-N-methyl-7H-purin-6-amine
CID 60877421
N-[2-(3-fluorophenoxy)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 75479593
N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 124627986
N-(2,6-difluorophenyl)-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 154748178
5-ethyl-N-[(3-fluorophenyl)methyl]-6-hydrazinyl-N-methylpyrimidin-4-amine
CID 80932991
N'-methyl-N'-(7H-purin-6-yl)ethane-1,2-diamine
CID 62593872
N-[2-(3-methoxyphenyl)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 75479729
6-N-[(3-methoxyphenyl)methyl]-6-N-methyl-7H-purine-2,6-diamine
CID 115669342
N-(4-chlorobutyl)-N-methyl-7H-purin-6-amine
CID 13285773
N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 94646796
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 51092559
N-[(3-cyanophenyl)methyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 51089069

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-7H-purin-6-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-7H-purin-6-amine (CID 94145814) is N-[(3-fluorophenyl)methyl]-N-methyl-7H-purin-6-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-methyl-7H-purin-6-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-methyl-7H-purin-6-amine is CN(Cc1cccc(F)c1)c1ncnc2nc[nH]c12.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-methyl-7H-purin-6-amine?
The InChIKey is SXUPDUMZXSOHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5/c1-19(6-9-3-2-4-10(14)5-9)13-11-12(16-7-15-11)17-8-18-13/h2-5,7-8H,6H2,1H3,(H,15,16,17,18).
What are the key properties of N-[(3-fluorophenyl)methyl]-N-methyl-7H-purin-6-amine?
N-[(3-fluorophenyl)methyl]-N-methyl-7H-purin-6-amine has a molecular weight of 257.27 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-methyl-7H-purin-6-amine is sourced from PubChem (CID 94145814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).