7-[(2-fluorophenyl)methyl]-2-(methylaminomethyl)-1H-purin-6-one

C14H14FN5O — CID 135708892

IUPAC7-[(2-fluorophenyl)methyl]-2-(methylaminomethyl)-1H-purin-6-one
SMILESCNCc1nc2ncn(Cc3ccccc3F)c2c(=O)[nH]1
InChIInChI=1S/C14H14FN5O/c1-16-6-11-18-13-12(14(21)19-11)20(8-17-13)7-9-4-2-3-5-10(9)15/h2-5,8,16H,6-7H2,1H3,(H,18,19,21)
InChIKeyRYBJBZQUDSJCEI-UHFFFAOYSA-N
MW287.30 g/mol
LogP1.03
Rot. Bonds4

About 7-[(2-fluorophenyl)methyl]-2-(methylaminomethyl)-1H-purin-6-one

7-[(2-fluorophenyl)methyl]-2-(methylaminomethyl)-1H-purin-6-one (PubChem CID 135708892) has the molecular formula C14H14FN5O and a molecular weight of 287.30 g/mol. Its IUPAC name is 7-[(2-fluorophenyl)methyl]-2-(methylaminomethyl)-1H-purin-6-one.

Molecular Properties

Compound Name7-[(2-fluorophenyl)methyl]-2-(methylaminomethyl)-1H-purin-6-one
PubChem CID135708892
Molecular FormulaC14H14FN5O
Molecular Weight287.30 g/mol
Exact Mass287.12
IUPAC Name7-[(2-fluorophenyl)methyl]-2-(methylaminomethyl)-1H-purin-6-one
SMILESCNCc1nc2ncn(Cc3ccccc3F)c2c(=O)[nH]1
InChIInChI=1S/C14H14FN5O/c1-16-6-11-18-13-12(14(21)19-11)20(8-17-13)7-9-4-2-3-5-10(9)15/h2-5,8,16H,6-7H2,1H3,(H,18,19,21)
InChIKeyRYBJBZQUDSJCEI-UHFFFAOYSA-N
XLogP1.03
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-7-[(2-fluorophenyl)methyl]-1H-purin-6-one
CID 135708894
2-(3-chlorophenyl)-7-[(2-fluorophenyl)methyl]-1H-purin-6-one
CID 135709057
7-benzyl-2-(2,2-dimethylpropyl)-1H-purin-6-one
CID 135708928
7-[(2,3-dichlorophenyl)methyl]-2-(2-fluorophenyl)-1H-purin-6-one
CID 135500073
2-(2-aminoethyl)-7-[(4-fluorophenyl)methyl]-1H-purin-6-one
CID 135709068
7-benzyl-2-(2-phenylhydrazinyl)-1H-purin-6-one
CID 137235268
N-(7-benzyl-6-oxo-1H-purin-2-yl)acetamide
CID 135471186
2-amino-7-[(4-fluorophenyl)methyl]-1H-purin-6-one
CID 135405774
4-chloro-3-[(2-fluorophenyl)methyl]imidazo[4,5-c]pyridine
CID 14199155
5,6-dichloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one
CID 114583259
6-chloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one
CID 114582406
6-[(2-fluorophenyl)methyl]-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one
CID 39892488

Frequently Asked Questions

What is the IUPAC name of 7-[(2-fluorophenyl)methyl]-2-(methylaminomethyl)-1H-purin-6-one?
The IUPAC name of 7-[(2-fluorophenyl)methyl]-2-(methylaminomethyl)-1H-purin-6-one (CID 135708892) is 7-[(2-fluorophenyl)methyl]-2-(methylaminomethyl)-1H-purin-6-one.
What is the SMILES notation for 7-[(2-fluorophenyl)methyl]-2-(methylaminomethyl)-1H-purin-6-one?
The canonical SMILES for 7-[(2-fluorophenyl)methyl]-2-(methylaminomethyl)-1H-purin-6-one is CNCc1nc2ncn(Cc3ccccc3F)c2c(=O)[nH]1.
What is the InChIKey of 7-[(2-fluorophenyl)methyl]-2-(methylaminomethyl)-1H-purin-6-one?
The InChIKey is RYBJBZQUDSJCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5O/c1-16-6-11-18-13-12(14(21)19-11)20(8-17-13)7-9-4-2-3-5-10(9)15/h2-5,8,16H,6-7H2,1H3,(H,18,19,21).
What are the key properties of 7-[(2-fluorophenyl)methyl]-2-(methylaminomethyl)-1H-purin-6-one?
7-[(2-fluorophenyl)methyl]-2-(methylaminomethyl)-1H-purin-6-one has a molecular weight of 287.30 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-fluorophenyl)methyl]-2-(methylaminomethyl)-1H-purin-6-one is sourced from PubChem (CID 135708892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).