2-amino-1-[fluoro(phenyl)methyl]-7H-purin-6-one

C12H10FN5O — CID 67067452

IUPAC2-amino-1-[fluoro(phenyl)methyl]-7H-purin-6-one
SMILESNc1nc2nc[nH]c2c(=O)n1C(F)c1ccccc1
InChIInChI=1S/C12H10FN5O/c13-9(7-4-2-1-3-5-7)18-11(19)8-10(16-6-15-8)17-12(18)14/h1-6,9H,(H2,14,17)(H,15,16)
InChIKeyOKQCQOXLACJLGF-UHFFFAOYSA-N
MW259.24 g/mol
LogP1.22
Rot. Bonds2

About 2-amino-1-[fluoro(phenyl)methyl]-7H-purin-6-one

2-amino-1-[fluoro(phenyl)methyl]-7H-purin-6-one (PubChem CID 67067452) has the molecular formula C12H10FN5O and a molecular weight of 259.24 g/mol. Its IUPAC name is 2-amino-1-[fluoro(phenyl)methyl]-7H-purin-6-one.

Molecular Properties

Compound Name2-amino-1-[fluoro(phenyl)methyl]-7H-purin-6-one
PubChem CID67067452
Molecular FormulaC12H10FN5O
Molecular Weight259.24 g/mol
Exact Mass259.09
IUPAC Name2-amino-1-[fluoro(phenyl)methyl]-7H-purin-6-one
SMILESNc1nc2nc[nH]c2c(=O)n1C(F)c1ccccc1
InChIInChI=1S/C12H10FN5O/c13-9(7-4-2-1-3-5-7)18-11(19)8-10(16-6-15-8)17-12(18)14/h1-6,9H,(H2,14,17)(H,15,16)
InChIKeyOKQCQOXLACJLGF-UHFFFAOYSA-N
XLogP1.22
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-1-[fluoro(phenyl)methyl]-7H-purin-6-one with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-1-(2-phenylpropyl)-7H-purin-6-one;hydrochloride
CID 126666255
bis(2-amino-1-hydroxy-7H-purin-6-one);hydrate
CID 67908400
1,2-diamino-7H-purin-6-one
CID 15628862
2-amino-1-(1-cyclopropyl-2,2-dihydroxyethyl)-7H-purin-6-one
CID 69471495
2-amino-1-benzylsulfanyl-7H-purin-6-one
CID 21115330
2-amino-1-ethyl-7H-purin-6-one
CID 18378033
[(2-amino-6-oxo-7H-purin-1-yl)-propoxymethyl]phosphonic acid
CID 67334151
2-amino-1-[3-(trifluoromethyl)phenyl]-7H-purin-6-one
CID 67617358
2-amino-1-cyclopentyl-7H-purin-6-one
CID 71283680
2-amino-1-ethoxy-7H-purin-6-one
CID 174590702
2-amino-1-[(4-nitrophenyl)methyl]-7H-purin-6-one
CID 174760334
2-amino-1-[[1-(hydroxymethyl)cyclopropyl]methyl]-7H-purin-6-one
CID 70210832

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[fluoro(phenyl)methyl]-7H-purin-6-one?
The IUPAC name of 2-amino-1-[fluoro(phenyl)methyl]-7H-purin-6-one (CID 67067452) is 2-amino-1-[fluoro(phenyl)methyl]-7H-purin-6-one.
What is the SMILES notation for 2-amino-1-[fluoro(phenyl)methyl]-7H-purin-6-one?
The canonical SMILES for 2-amino-1-[fluoro(phenyl)methyl]-7H-purin-6-one is Nc1nc2nc[nH]c2c(=O)n1C(F)c1ccccc1.
What is the InChIKey of 2-amino-1-[fluoro(phenyl)methyl]-7H-purin-6-one?
The InChIKey is OKQCQOXLACJLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5O/c13-9(7-4-2-1-3-5-7)18-11(19)8-10(16-6-15-8)17-12(18)14/h1-6,9H,(H2,14,17)(H,15,16).
What are the key properties of 2-amino-1-[fluoro(phenyl)methyl]-7H-purin-6-one?
2-amino-1-[fluoro(phenyl)methyl]-7H-purin-6-one has a molecular weight of 259.24 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[fluoro(phenyl)methyl]-7H-purin-6-one is sourced from PubChem (CID 67067452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).