6-[2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3-dimethylpyrimidine-2,4-dione

C17H20FN5O2 — CID 163352604

IUPAC6-[2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N2CC3CN(c4ccc(F)cn4)CC3C2)cc(=O)n(C)c1=O
InChIInChI=1S/C17H20FN5O2/c1-20-15(5-16(24)21(2)17(20)25)23-9-11-7-22(8-12(11)10-23)14-4-3-13(18)6-19-14/h3-6,11-12H,7-10H2,1-2H3
InChIKeySGYBUFLFZVDMEN-UHFFFAOYSA-N
MW345.38 g/mol
LogP0.19
Rot. Bonds2

About 6-[2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3-dimethylpyrimidine-2,4-dione

6-[2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 163352604) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is 6-[2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID163352604
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC Name6-[2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N2CC3CN(c4ccc(F)cn4)CC3C2)cc(=O)n(C)c1=O
InChIInChI=1S/C17H20FN5O2/c1-20-15(5-16(24)21(2)17(20)25)23-9-11-7-22(8-12(11)10-23)14-4-3-13(18)6-19-14/h3-6,11-12H,7-10H2,1-2H3
InChIKeySGYBUFLFZVDMEN-UHFFFAOYSA-N
XLogP0.19
TPSA63.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3-dimethylpyrimidine-2,4-dione 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 6-[2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3-dimethylpyrimidine-2,4-dione (CID 163352604) is 6-[2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(N2CC3CN(c4ccc(F)cn4)CC3C2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-[2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is SGYBUFLFZVDMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O2/c1-20-15(5-16(24)21(2)17(20)25)23-9-11-7-22(8-12(11)10-23)14-4-3-13(18)6-19-14/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 6-[2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3-dimethylpyrimidine-2,4-dione?
6-[2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 345.38 g/mol, XLogP of 0.19, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 163352604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).