1-[(3,5-difluorophenyl)methyl]-5-methoxy-2-(2-methyl-5-pyrazin-2-ylanilino)pyrimidin-4-one

C23H19F2N5O2 — CID 134290598

About 1-[(3,5-difluorophenyl)methyl]-5-methoxy-2-(2-methyl-5-pyrazin-2-ylanilino)pyrimidin-4-one

1-[(3,5-difluorophenyl)methyl]-5-methoxy-2-(2-methyl-5-pyrazin-2-ylanilino)pyrimidin-4-one (PubChem CID 134290598) has the molecular formula C23H19F2N5O2 and a molecular weight of 435.43 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methyl]-5-methoxy-2-(2-methyl-5-pyrazin-2-ylanilino)pyrimidin-4-one.

Molecular Properties

• Compound Name: 1-[(3,5-difluorophenyl)methyl]-5-methoxy-2-(2-methyl-5-pyrazin-2-ylanilino)pyrimidin-4-one
• PubChem CID: 134290598
• Molecular Formula: C23H19F2N5O2
• Molecular Weight: 435.43 g/mol
• Exact Mass: 435.15
• IUPAC Name: 1-[(3,5-difluorophenyl)methyl]-5-methoxy-2-(2-methyl-5-pyrazin-2-ylanilino)pyrimidin-4-one
• SMILES: COc1cn(Cc2cc(F)cc(F)c2)c(Nc2cc(-c3cnccn3)ccc2C)nc1=O
• InChI: InChI=1S/C23H19F2N5O2/c1-14-3-4-16(20-11-26-5-6-27-20)9-19(14)28-23-29-22(31)21(32-2)13-30(23)12-15-7-17(24)10-18(25)8-15/h3-11,13H,12H2,1-2H3,(H,28,29,31)
• InChIKey: GEYSKMXMMQHJSJ-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 81.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.43
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methyl]-5-methoxy-2-(2-methyl-5-pyrazin-2-ylanilino)pyrimidin-4-one?

The IUPAC name of 1-[(3,5-difluorophenyl)methyl]-5-methoxy-2-(2-methyl-5-pyrazin-2-ylanilino)pyrimidin-4-one (CID 134290598) is 1-[(3,5-difluorophenyl)methyl]-5-methoxy-2-(2-methyl-5-pyrazin-2-ylanilino)pyrimidin-4-one.

What is the SMILES notation for 1-[(3,5-difluorophenyl)methyl]-5-methoxy-2-(2-methyl-5-pyrazin-2-ylanilino)pyrimidin-4-one?

The canonical SMILES for 1-[(3,5-difluorophenyl)methyl]-5-methoxy-2-(2-methyl-5-pyrazin-2-ylanilino)pyrimidin-4-one is COc1cn(Cc2cc(F)cc(F)c2)c(Nc2cc(-c3cnccn3)ccc2C)nc1=O.

What is the InChIKey of 1-[(3,5-difluorophenyl)methyl]-5-methoxy-2-(2-methyl-5-pyrazin-2-ylanilino)pyrimidin-4-one?

The InChIKey is GEYSKMXMMQHJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N5O2/c1-14-3-4-16(20-11-26-5-6-27-20)9-19(14)28-23-29-22(31)21(32-2)13-30(23)12-15-7-17(24)10-18(25)8-15/h3-11,13H,12H2,1-2H3,(H,28,29,31).

What are the key properties of 1-[(3,5-difluorophenyl)methyl]-5-methoxy-2-(2-methyl-5-pyrazin-2-ylanilino)pyrimidin-4-one?

1-[(3,5-difluorophenyl)methyl]-5-methoxy-2-(2-methyl-5-pyrazin-2-ylanilino)pyrimidin-4-one has a molecular weight of 435.43 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3,5-difluorophenyl)methyl]-5-methoxy-2-(2-methyl-5-pyrazin-2-ylanilino)pyrimidin-4-one is sourced from PubChem (CID 134290598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).