2-phenyl-1,7-dihydropurin-6-one

C11H8N4O — CID 135531822

IUPAC2-phenyl-1,7-dihydropurin-6-one
SMILESO=c1[nH]c(-c2ccccc2)nc2nc[nH]c12
InChIInChI=1S/C11H8N4O/c16-11-8-10(13-6-12-8)14-9(15-11)7-4-2-1-3-5-7/h1-6H,(H2,12,13,14,15,16)
InChIKeyUPHXIPOCIVZKOV-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.31
Rot. Bonds1

About 2-phenyl-1,7-dihydropurin-6-one

2-phenyl-1,7-dihydropurin-6-one (PubChem CID 135531822) has the molecular formula C11H8N4O and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-phenyl-1,7-dihydropurin-6-one.

Molecular Properties

Compound Name2-phenyl-1,7-dihydropurin-6-one
PubChem CID135531822
Molecular FormulaC11H8N4O
Molecular Weight212.21 g/mol
Exact Mass212.07
IUPAC Name2-phenyl-1,7-dihydropurin-6-one
SMILESO=c1[nH]c(-c2ccccc2)nc2nc[nH]c12
InChIInChI=1S/C11H8N4O/c16-11-8-10(13-6-12-8)14-9(15-11)7-4-2-1-3-5-7/h1-6H,(H2,12,13,14,15,16)
InChIKeyUPHXIPOCIVZKOV-UHFFFAOYSA-N
XLogP1.31
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6-oxo-1,7-dihydropurin-2-yl)pyridine-2-carboxamide
CID 137186641
8-pyridin-4-yl-1,7-dihydropurin-6-one
CID 135672354
5,13-diphenyl-2,4,6,12,14-pentazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9,13-pentaene-7,11-dione
CID 135869738
2-amino-1,7-dihydropurin-6-one;anthracene-9,10-dione
CID 136626730
2-chloro-1,7-dihydropurin-6-one
CID 160598455
2-chloro-1,7-dihydropurin-6-one
CID 135421792
2-methyl-1,7-dihydropurin-6-one
CID 135449674
2-(4-benzyl-2-ethoxyphenyl)-1,7-dihydropurin-6-one
CID 159738998
2-amino-1,7-dihydropurin-6-one;dihydrochloride
CID 140978979
sodium 6-oxo-1,7-dihydropurine-2-thiolate
CID 135547004
CID 135997841
CID 135997841
2-[benzyl(methyl)amino]-1,7-dihydropurin-6-one
CID 141084807

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,7-dihydropurin-6-one?
The IUPAC name of 2-phenyl-1,7-dihydropurin-6-one (CID 135531822) is 2-phenyl-1,7-dihydropurin-6-one.
What is the SMILES notation for 2-phenyl-1,7-dihydropurin-6-one?
The canonical SMILES for 2-phenyl-1,7-dihydropurin-6-one is O=c1[nH]c(-c2ccccc2)nc2nc[nH]c12.
What is the InChIKey of 2-phenyl-1,7-dihydropurin-6-one?
The InChIKey is UPHXIPOCIVZKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O/c16-11-8-10(13-6-12-8)14-9(15-11)7-4-2-1-3-5-7/h1-6H,(H2,12,13,14,15,16).
What are the key properties of 2-phenyl-1,7-dihydropurin-6-one?
2-phenyl-1,7-dihydropurin-6-one has a molecular weight of 212.21 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,7-dihydropurin-6-one is sourced from PubChem (CID 135531822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).