6-amino-2-methyl-9-phenyl-7H-purin-8-one

C12H11N5O — CID 174885832

IUPAC6-amino-2-methyl-9-phenyl-7H-purin-8-one
SMILESCc1nc(N)c2[nH]c(=O)n(-c3ccccc3)c2n1
InChIInChI=1S/C12H11N5O/c1-7-14-10(13)9-11(15-7)17(12(18)16-9)8-5-3-2-4-6-8/h2-6H,1H3,(H,16,18)(H2,13,14,15)
InChIKeyPGXJJFOBTATGJK-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.00
Rot. Bonds1

About 6-amino-2-methyl-9-phenyl-7H-purin-8-one

6-amino-2-methyl-9-phenyl-7H-purin-8-one (PubChem CID 174885832) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 6-amino-2-methyl-9-phenyl-7H-purin-8-one.

Molecular Properties

Compound Name6-amino-2-methyl-9-phenyl-7H-purin-8-one
PubChem CID174885832
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name6-amino-2-methyl-9-phenyl-7H-purin-8-one
SMILESCc1nc(N)c2[nH]c(=O)n(-c3ccccc3)c2n1
InChIInChI=1S/C12H11N5O/c1-7-14-10(13)9-11(15-7)17(12(18)16-9)8-5-3-2-4-6-8/h2-6H,1H3,(H,16,18)(H2,13,14,15)
InChIKeyPGXJJFOBTATGJK-UHFFFAOYSA-N
XLogP1.00
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-9-phenyl-7H-purin-8-one?
The IUPAC name of 6-amino-2-methyl-9-phenyl-7H-purin-8-one (CID 174885832) is 6-amino-2-methyl-9-phenyl-7H-purin-8-one.
What is the SMILES notation for 6-amino-2-methyl-9-phenyl-7H-purin-8-one?
The canonical SMILES for 6-amino-2-methyl-9-phenyl-7H-purin-8-one is Cc1nc(N)c2[nH]c(=O)n(-c3ccccc3)c2n1.
What is the InChIKey of 6-amino-2-methyl-9-phenyl-7H-purin-8-one?
The InChIKey is PGXJJFOBTATGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-7-14-10(13)9-11(15-7)17(12(18)16-9)8-5-3-2-4-6-8/h2-6H,1H3,(H,16,18)(H2,13,14,15).
What are the key properties of 6-amino-2-methyl-9-phenyl-7H-purin-8-one?
6-amino-2-methyl-9-phenyl-7H-purin-8-one has a molecular weight of 241.25 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-9-phenyl-7H-purin-8-one is sourced from PubChem (CID 174885832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).