5,7-diphenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one

C18H13N3O — CID 135463744

IUPAC5,7-diphenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1c(-c1ccccc1)cn2-c1ccccc1
InChIInChI=1S/C18H13N3O/c22-18-16-15(13-7-3-1-4-8-13)11-21(17(16)19-12-20-18)14-9-5-2-6-10-14/h1-12H,(H,19,20,22)
InChIKeyYTLWLZPZXNOVGS-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.38
Rot. Bonds2

About 5,7-diphenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one

5,7-diphenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135463744) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is 5,7-diphenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5,7-diphenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135463744
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name5,7-diphenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1c(-c1ccccc1)cn2-c1ccccc1
InChIInChI=1S/C18H13N3O/c22-18-16-15(13-7-3-1-4-8-13)11-21(17(16)19-12-20-18)14-9-5-2-6-10-14/h1-12H,(H,19,20,22)
InChIKeyYTLWLZPZXNOVGS-UHFFFAOYSA-N
XLogP3.38
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-diphenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 5,7-diphenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one (CID 135463744) is 5,7-diphenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5,7-diphenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5,7-diphenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one is O=c1[nH]cnc2c1c(-c1ccccc1)cn2-c1ccccc1.
What is the InChIKey of 5,7-diphenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is YTLWLZPZXNOVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c22-18-16-15(13-7-3-1-4-8-13)11-21(17(16)19-12-20-18)14-9-5-2-6-10-14/h1-12H,(H,19,20,22).
What are the key properties of 5,7-diphenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
5,7-diphenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 287.32 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diphenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135463744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).