2-amino-7-(4-fluorobenzoyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

C13H9FN4O2 — CID 137189958

IUPAC2-amino-7-(4-fluorobenzoyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(C(=O)c3ccc(F)cc3)c[nH]c2c(=O)[nH]1
InChIInChI=1S/C13H9FN4O2/c14-7-3-1-6(2-4-7)11(19)8-5-16-10-9(8)17-13(15)18-12(10)20/h1-5,16H,(H3,15,17,18,20)
InChIKeyZLGUYWJOBCGRCJ-UHFFFAOYSA-N
MW272.24 g/mol
LogP1.20
Rot. Bonds2

About 2-amino-7-(4-fluorobenzoyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

2-amino-7-(4-fluorobenzoyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 137189958) has the molecular formula C13H9FN4O2 and a molecular weight of 272.24 g/mol. Its IUPAC name is 2-amino-7-(4-fluorobenzoyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-(4-fluorobenzoyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID137189958
Molecular FormulaC13H9FN4O2
Molecular Weight272.24 g/mol
Exact Mass272.07
IUPAC Name2-amino-7-(4-fluorobenzoyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(C(=O)c3ccc(F)cc3)c[nH]c2c(=O)[nH]1
InChIInChI=1S/C13H9FN4O2/c14-7-3-1-6(2-4-7)11(19)8-5-16-10-9(8)17-13(15)18-12(10)20/h1-5,16H,(H3,15,17,18,20)
InChIKeyZLGUYWJOBCGRCJ-UHFFFAOYSA-N
XLogP1.20
TPSA104.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(4-fluorobenzoyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-(4-fluorobenzoyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 137189958) is 2-amino-7-(4-fluorobenzoyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-(4-fluorobenzoyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-(4-fluorobenzoyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is Nc1nc2c(C(=O)c3ccc(F)cc3)c[nH]c2c(=O)[nH]1.
What is the InChIKey of 2-amino-7-(4-fluorobenzoyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is ZLGUYWJOBCGRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4O2/c14-7-3-1-6(2-4-7)11(19)8-5-16-10-9(8)17-13(15)18-12(10)20/h1-5,16H,(H3,15,17,18,20).
What are the key properties of 2-amino-7-(4-fluorobenzoyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
2-amino-7-(4-fluorobenzoyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 272.24 g/mol, XLogP of 1.20, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(4-fluorobenzoyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137189958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).