8-amino-7-(2-chlorophenyl)-1H-purin-6-one

C11H8ClN5O — CID 137254797

IUPAC8-amino-7-(2-chlorophenyl)-1H-purin-6-one
SMILESNc1nc2nc[nH]c(=O)c2n1-c1ccccc1Cl
InChIInChI=1S/C11H8ClN5O/c12-6-3-1-2-4-7(6)17-8-9(16-11(17)13)14-5-15-10(8)18/h1-5H,(H3,13,14,15,16,18)
InChIKeyZYAKCMJRZYGFMM-UHFFFAOYSA-N
MW261.67 g/mol
LogP1.34
Rot. Bonds1

About 8-amino-7-(2-chlorophenyl)-1H-purin-6-one

8-amino-7-(2-chlorophenyl)-1H-purin-6-one (PubChem CID 137254797) has the molecular formula C11H8ClN5O and a molecular weight of 261.67 g/mol. Its IUPAC name is 8-amino-7-(2-chlorophenyl)-1H-purin-6-one.

Molecular Properties

Compound Name8-amino-7-(2-chlorophenyl)-1H-purin-6-one
PubChem CID137254797
Molecular FormulaC11H8ClN5O
Molecular Weight261.67 g/mol
Exact Mass261.04
IUPAC Name8-amino-7-(2-chlorophenyl)-1H-purin-6-one
SMILESNc1nc2nc[nH]c(=O)c2n1-c1ccccc1Cl
InChIInChI=1S/C11H8ClN5O/c12-6-3-1-2-4-7(6)17-8-9(16-11(17)13)14-5-15-10(8)18/h1-5H,(H3,13,14,15,16,18)
InChIKeyZYAKCMJRZYGFMM-UHFFFAOYSA-N
XLogP1.34
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.67
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-amino-7-(3-nitrophenyl)-1H-purin-6-one
CID 137254738
7-chloro-1-(2-chlorophenyl)benzimidazol-2-amine
CID 43661829
methyl 7-(2-chlorophenyl)-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
CID 137078366
[7-(2-chlorophenyl)-5-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-6-yl] acetate
CID 174476799
7-(4-fluorophenyl)-8-methyl-1H-purin-6-one
CID 137254746
1-(2-chlorophenyl)-4-fluorobenzimidazol-2-amine
CID 60789713
2-amino-1-benzylsulfanyl-7H-purin-6-one
CID 21115330
7-chloro-1-(2,3-dichlorophenyl)benzimidazol-2-amine
CID 43661869
1-(2-chlorophenyl)-4,6-difluorobenzimidazol-2-amine
CID 115508622
5-(2-chlorophenyl)-7-(trifluoromethyl)-3H-imidazo[4,5-c][1,8]naphthyridin-4-one
CID 167150763
3-(2-chlorophenyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one
CID 1093514
7-iodo-1H-purin-6-one
CID 175230449

Frequently Asked Questions

What is the IUPAC name of 8-amino-7-(2-chlorophenyl)-1H-purin-6-one?
The IUPAC name of 8-amino-7-(2-chlorophenyl)-1H-purin-6-one (CID 137254797) is 8-amino-7-(2-chlorophenyl)-1H-purin-6-one.
What is the SMILES notation for 8-amino-7-(2-chlorophenyl)-1H-purin-6-one?
The canonical SMILES for 8-amino-7-(2-chlorophenyl)-1H-purin-6-one is Nc1nc2nc[nH]c(=O)c2n1-c1ccccc1Cl.
What is the InChIKey of 8-amino-7-(2-chlorophenyl)-1H-purin-6-one?
The InChIKey is ZYAKCMJRZYGFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5O/c12-6-3-1-2-4-7(6)17-8-9(16-11(17)13)14-5-15-10(8)18/h1-5H,(H3,13,14,15,16,18).
What are the key properties of 8-amino-7-(2-chlorophenyl)-1H-purin-6-one?
8-amino-7-(2-chlorophenyl)-1H-purin-6-one has a molecular weight of 261.67 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-7-(2-chlorophenyl)-1H-purin-6-one is sourced from PubChem (CID 137254797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).