2-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

C12H9N3O — CID 135597596

IUPAC2-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccc2)nc2[nH]ccc12
InChIInChI=1S/C12H9N3O/c16-12-9-6-7-13-11(9)14-10(15-12)8-4-2-1-3-5-8/h1-7H,(H2,13,14,15,16)
InChIKeyFBCXXFFNKMCXBW-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.92
Rot. Bonds1

About 2-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

2-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135597596) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135597596
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name2-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccc2)nc2[nH]ccc12
InChIInChI=1S/C12H9N3O/c16-12-9-6-7-13-11(9)14-10(15-12)8-4-2-1-3-5-8/h1-7H,(H2,13,14,15,16)
InChIKeyFBCXXFFNKMCXBW-UHFFFAOYSA-N
XLogP1.92
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 135597596) is 2-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is O=c1[nH]c(-c2ccccc2)nc2[nH]ccc12.
What is the InChIKey of 2-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is FBCXXFFNKMCXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c16-12-9-6-7-13-11(9)14-10(15-12)8-4-2-1-3-5-8/h1-7H,(H2,13,14,15,16).
What are the key properties of 2-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
2-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 211.22 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135597596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).