2-(2,6-difluorophenyl)-4-(piperidin-1-ylamino)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one

C17H17F2N5O — CID 166987657

IUPAC2-(2,6-difluorophenyl)-4-(piperidin-1-ylamino)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
SMILESO=C1NCc2nc(-c3c(F)cccc3F)nc(NN3CCCCC3)c21
InChIInChI=1S/C17H17F2N5O/c18-10-5-4-6-11(19)13(10)15-21-12-9-20-17(25)14(12)16(22-15)23-24-7-2-1-3-8-24/h4-6H,1-3,7-9H2,(H,20,25)(H,21,22,23)
InChIKeyXUHUNUNNMFXPOO-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.48
Rot. Bonds3

About 2-(2,6-difluorophenyl)-4-(piperidin-1-ylamino)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one

2-(2,6-difluorophenyl)-4-(piperidin-1-ylamino)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one (PubChem CID 166987657) has the molecular formula C17H17F2N5O and a molecular weight of 345.35 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-(piperidin-1-ylamino)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-(piperidin-1-ylamino)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
PubChem CID166987657
Molecular FormulaC17H17F2N5O
Molecular Weight345.35 g/mol
Exact Mass345.14
IUPAC Name2-(2,6-difluorophenyl)-4-(piperidin-1-ylamino)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
SMILESO=C1NCc2nc(-c3c(F)cccc3F)nc(NN3CCCCC3)c21
InChIInChI=1S/C17H17F2N5O/c18-10-5-4-6-11(19)13(10)15-21-12-9-20-17(25)14(12)16(22-15)23-24-7-2-1-3-8-24/h4-6H,1-3,7-9H2,(H,20,25)(H,21,22,23)
InChIKeyXUHUNUNNMFXPOO-UHFFFAOYSA-N
XLogP2.48
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2,6-difluorophenyl)-4-(piperidin-1-ylamino)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-(piperidin-1-ylamino)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
The IUPAC name of 2-(2,6-difluorophenyl)-4-(piperidin-1-ylamino)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one (CID 166987657) is 2-(2,6-difluorophenyl)-4-(piperidin-1-ylamino)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-(piperidin-1-ylamino)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-(piperidin-1-ylamino)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one is O=C1NCc2nc(-c3c(F)cccc3F)nc(NN3CCCCC3)c21.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-(piperidin-1-ylamino)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
The InChIKey is XUHUNUNNMFXPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N5O/c18-10-5-4-6-11(19)13(10)15-21-12-9-20-17(25)14(12)16(22-15)23-24-7-2-1-3-8-24/h4-6H,1-3,7-9H2,(H,20,25)(H,21,22,23).
What are the key properties of 2-(2,6-difluorophenyl)-4-(piperidin-1-ylamino)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one?
2-(2,6-difluorophenyl)-4-(piperidin-1-ylamino)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one has a molecular weight of 345.35 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-(piperidin-1-ylamino)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 166987657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).