2-amino-9-(2-bromophenyl)-1H-purin-6-one

C11H8BrN5O — CID 135491134

IUPAC2-amino-9-(2-bromophenyl)-1H-purin-6-one
SMILESNc1nc2c(ncn2-c2ccccc2Br)c(=O)[nH]1
InChIInChI=1S/C11H8BrN5O/c12-6-3-1-2-4-7(6)17-5-14-8-9(17)15-11(13)16-10(8)18/h1-5H,(H3,13,15,16,18)
InChIKeyWOGGZETXPWAYGD-UHFFFAOYSA-N
MW306.12 g/mol
LogP1.45
Rot. Bonds1

About 2-amino-9-(2-bromophenyl)-1H-purin-6-one

2-amino-9-(2-bromophenyl)-1H-purin-6-one (PubChem CID 135491134) has the molecular formula C11H8BrN5O and a molecular weight of 306.12 g/mol. Its IUPAC name is 2-amino-9-(2-bromophenyl)-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-9-(2-bromophenyl)-1H-purin-6-one
PubChem CID135491134
Molecular FormulaC11H8BrN5O
Molecular Weight306.12 g/mol
Exact Mass304.99
IUPAC Name2-amino-9-(2-bromophenyl)-1H-purin-6-one
SMILESNc1nc2c(ncn2-c2ccccc2Br)c(=O)[nH]1
InChIInChI=1S/C11H8BrN5O/c12-6-3-1-2-4-7(6)17-5-14-8-9(17)15-11(13)16-10(8)18/h1-5H,(H3,13,15,16,18)
InChIKeyWOGGZETXPWAYGD-UHFFFAOYSA-N
XLogP1.45
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.12
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-9-(2,4,5-trimethylphenyl)-1H-purin-6-one
CID 135958418
2-amino-9-(3-methylphenyl)-1H-purin-6-one
CID 135416977
2-amino-9-(3-aminophenyl)-1H-purin-6-one;hydrochloride
CID 135539668
N-[3-(2-amino-6-oxo-1H-purin-9-yl)phenyl]-2-bromoacetamide
CID 135482506
2-amino-9-(3,4-dimethoxyphenyl)-1H-purin-6-one
CID 135491182
2-amino-9-(1H-azepin-2-yl)-1H-purin-6-one
CID 174920146
2-amino-9-[(4-bromo-3-methylphenyl)methyl]-1H-purin-6-one;hydrochloride
CID 136934356
2-amino-9-(3,3-dibromopropyl)-1H-purin-6-one
CID 175411910
2-amino-9-ethyl-1H-purin-6-one
CID 135415584
2-amino-9-(2-aminoethyl)-1H-purin-6-one;hydrochloride
CID 162422020
CID 136701926
CID 136701926
2-amino-9-[(1S,4S)-4-(2-amino-6-oxo-1H-purin-9-yl)-1,4-dihydroxybutyl]-1H-purin-6-one
CID 136669333

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-(2-bromophenyl)-1H-purin-6-one?
The IUPAC name of 2-amino-9-(2-bromophenyl)-1H-purin-6-one (CID 135491134) is 2-amino-9-(2-bromophenyl)-1H-purin-6-one.
What is the SMILES notation for 2-amino-9-(2-bromophenyl)-1H-purin-6-one?
The canonical SMILES for 2-amino-9-(2-bromophenyl)-1H-purin-6-one is Nc1nc2c(ncn2-c2ccccc2Br)c(=O)[nH]1.
What is the InChIKey of 2-amino-9-(2-bromophenyl)-1H-purin-6-one?
The InChIKey is WOGGZETXPWAYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN5O/c12-6-3-1-2-4-7(6)17-5-14-8-9(17)15-11(13)16-10(8)18/h1-5H,(H3,13,15,16,18).
What are the key properties of 2-amino-9-(2-bromophenyl)-1H-purin-6-one?
2-amino-9-(2-bromophenyl)-1H-purin-6-one has a molecular weight of 306.12 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-(2-bromophenyl)-1H-purin-6-one is sourced from PubChem (CID 135491134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).