phenol;2-phenyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

C18H15N3O2 — CID 175478959

IUPACphenol;2-phenyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccc2)nc2cc[nH]c12.Oc1ccccc1
InChIInChI=1S/C12H9N3O.C6H6O/c16-12-10-9(6-7-13-10)14-11(15-12)8-4-2-1-3-5-8;7-6-4-2-1-3-5-6/h1-7,13H,(H,14,15,16);1-5,7H
InChIKeyABILVJREYOSYAN-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.31
Rot. Bonds1

About phenol;2-phenyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

phenol;2-phenyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 175478959) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is phenol;2-phenyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Namephenol;2-phenyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID175478959
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Namephenol;2-phenyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccc2)nc2cc[nH]c12.Oc1ccccc1
InChIInChI=1S/C12H9N3O.C6H6O/c16-12-10-9(6-7-13-10)14-11(15-12)8-4-2-1-3-5-8;7-6-4-2-1-3-5-6/h1-7,13H,(H,14,15,16);1-5,7H
InChIKeyABILVJREYOSYAN-UHFFFAOYSA-N
XLogP3.31
TPSA81.77 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenol;2-phenyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of phenol;2-phenyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 175478959) is phenol;2-phenyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for phenol;2-phenyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for phenol;2-phenyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is O=c1[nH]c(-c2ccccc2)nc2cc[nH]c12.Oc1ccccc1.
What is the InChIKey of phenol;2-phenyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is ABILVJREYOSYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O.C6H6O/c16-12-10-9(6-7-13-10)14-11(15-12)8-4-2-1-3-5-8;7-6-4-2-1-3-5-6/h1-7,13H,(H,14,15,16);1-5,7H.
What are the key properties of phenol;2-phenyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
phenol;2-phenyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 305.34 g/mol, XLogP of 3.31, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;2-phenyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 175478959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).