4-amino-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one

C12H8F2N4O — CID 118347986

IUPAC4-amino-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
SMILESNc1nc(-c2c(F)cccc2F)nc2c1C(=O)NC2
InChIInChI=1S/C12H8F2N4O/c13-5-2-1-3-6(14)8(5)11-17-7-4-16-12(19)9(7)10(15)18-11/h1-3H,4H2,(H,16,19)(H2,15,17,18)
InChIKeyLPJDVEKSVLQGQK-UHFFFAOYSA-N
MW262.22 g/mol
LogP1.25
Rot. Bonds1

About 4-amino-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one

4-amino-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one (PubChem CID 118347986) has the molecular formula C12H8F2N4O and a molecular weight of 262.22 g/mol. Its IUPAC name is 4-amino-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name4-amino-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
PubChem CID118347986
Molecular FormulaC12H8F2N4O
Molecular Weight262.22 g/mol
Exact Mass262.07
IUPAC Name4-amino-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
SMILESNc1nc(-c2c(F)cccc2F)nc2c1C(=O)NC2
InChIInChI=1S/C12H8F2N4O/c13-5-2-1-3-6(14)8(5)11-17-7-4-16-12(19)9(7)10(15)18-11/h1-3H,4H2,(H,16,19)(H2,15,17,18)
InChIKeyLPJDVEKSVLQGQK-UHFFFAOYSA-N
XLogP1.25
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
The IUPAC name of 4-amino-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one (CID 118347986) is 4-amino-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one.
What is the SMILES notation for 4-amino-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
The canonical SMILES for 4-amino-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one is Nc1nc(-c2c(F)cccc2F)nc2c1C(=O)NC2.
What is the InChIKey of 4-amino-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
The InChIKey is LPJDVEKSVLQGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N4O/c13-5-2-1-3-6(14)8(5)11-17-7-4-16-12(19)9(7)10(15)18-11/h1-3H,4H2,(H,16,19)(H2,15,17,18).
What are the key properties of 4-amino-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
4-amino-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one has a molecular weight of 262.22 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 118347986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).