[2-[4,6-bis(trideuteriomethyl)pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone

C23H23FN6O — CID 71470714

IUPAC[2-[4,6-bis(trideuteriomethyl)pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone
SMILES[2H]C([2H])([2H])c1cc(C([2H])([2H])[2H])nc(N2CC3CN(C(=O)c4cccc(F)c4-c4ncccn4)CC3C2)n1
InChIInChI=1S/C23H23FN6O/c1-14-9-15(2)28-23(27-14)30-12-16-10-29(11-17(16)13-30)22(31)18-5-3-6-19(24)20(18)21-25-7-4-8-26-21/h3-9,16-17H,10-13H2,1-2H3/i1D3,2D3
InChIKeyFPWNRYVTJLOJGZ-WFGJKAKNSA-N
MW424.51 g/mol
LogP2.90
Rot. Bonds5

About [2-[4,6-bis(trideuteriomethyl)pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone

[2-[4,6-bis(trideuteriomethyl)pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone (PubChem CID 71470714) has the molecular formula C23H23FN6O and a molecular weight of 424.51 g/mol. Its IUPAC name is [2-[4,6-bis(trideuteriomethyl)pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone.

Molecular Properties

Compound Name[2-[4,6-bis(trideuteriomethyl)pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone
PubChem CID71470714
Molecular FormulaC23H23FN6O
Molecular Weight424.51 g/mol
Exact Mass424.23
IUPAC Name[2-[4,6-bis(trideuteriomethyl)pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone
SMILES[2H]C([2H])([2H])c1cc(C([2H])([2H])[2H])nc(N2CC3CN(C(=O)c4cccc(F)c4-c4ncccn4)CC3C2)n1
InChIInChI=1S/C23H23FN6O/c1-14-9-15(2)28-23(27-14)30-12-16-10-29(11-17(16)13-30)22(31)18-5-3-6-19(24)20(18)21-25-7-4-8-26-21/h3-9,16-17H,10-13H2,1-2H3/i1D3,2D3
InChIKeyFPWNRYVTJLOJGZ-WFGJKAKNSA-N
XLogP2.90
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[4,6-bis(trideuteriomethyl)pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone 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-[4,6-bis(trideuteriomethyl)pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone?
The IUPAC name of [2-[4,6-bis(trideuteriomethyl)pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone (CID 71470714) is [2-[4,6-bis(trideuteriomethyl)pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone.
What is the SMILES notation for [2-[4,6-bis(trideuteriomethyl)pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone?
The canonical SMILES for [2-[4,6-bis(trideuteriomethyl)pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone is [2H]C([2H])([2H])c1cc(C([2H])([2H])[2H])nc(N2CC3CN(C(=O)c4cccc(F)c4-c4ncccn4)CC3C2)n1.
What is the InChIKey of [2-[4,6-bis(trideuteriomethyl)pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone?
The InChIKey is FPWNRYVTJLOJGZ-WFGJKAKNSA-N. The full InChI is InChI=1S/C23H23FN6O/c1-14-9-15(2)28-23(27-14)30-12-16-10-29(11-17(16)13-30)22(31)18-5-3-6-19(24)20(18)21-25-7-4-8-26-21/h3-9,16-17H,10-13H2,1-2H3/i1D3,2D3.
What are the key properties of [2-[4,6-bis(trideuteriomethyl)pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone?
[2-[4,6-bis(trideuteriomethyl)pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone has a molecular weight of 424.51 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4,6-bis(trideuteriomethyl)pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone is sourced from PubChem (CID 71470714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).