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Tert-butyl (2S)-7-[[3,5-difluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]methoxy]-2-methyl-5-oxo-2,3-dihydroimidazo[1,2-c]pyrimidine-1-carboxylate

C25H26F2N4O5 — CID 118685761

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACtert-butyl (2S)-7-[[3,5-difluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]methoxy]-2-methyl-5-oxo-2,3-dihydroimidazo[1,2-c]pyrimidine-1-carboxylate
SMILESCc1cc(Oc2c(F)cc(COc3cc4n(c(=O)n3)C[C@H](C)N4C(=O)OC(C)(C)C)cc2F)ccn1
InChIInChI=1S/C25H26F2N4O5/c1-14-8-17(6-7-28-14)35-22-18(26)9-16(10-19(22)27)13-34-20-11-21-30(23(32)29-20)12-15(2)31(21)24(33)36-25(3,4)5/h6-11,15H,12-13H2,1-5H3/t15-/m0/s1
InChIKeyRPEHGQHFMZRQFX-HNNXBMFYSA-N
MW500.50 g/mol
LogP4.74
Rot. Bonds5

About Tert-butyl (2S)-7-[[3,5-difluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]methoxy]-2-methyl-5-oxo-2,3-dihydroimidazo[1,2-c]pyrimidine-1-carboxylate

Tert-butyl (2S)-7-[[3,5-difluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]methoxy]-2-methyl-5-oxo-2,3-dihydroimidazo[1,2-c]pyrimidine-1-carboxylate (PubChem CID 118685761) has the molecular formula C25H26F2N4O5 and a molecular weight of 500.50 g/mol. Its IUPAC name is tert-butyl (2S)-7-[[3,5-difluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]methoxy]-2-methyl-5-oxo-2,3-dihydroimidazo[1,2-c]pyrimidine-1-carboxylate.

Molecular Properties

Compound NameTert-butyl (2S)-7-[[3,5-difluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]methoxy]-2-methyl-5-oxo-2,3-dihydroimidazo[1,2-c]pyrimidine-1-carboxylate
PubChem CID118685761
Molecular FormulaC25H26F2N4O5
Molecular Weight500.50 g/mol
Exact Mass500.19
IUPAC Nametert-butyl (2S)-7-[[3,5-difluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]methoxy]-2-methyl-5-oxo-2,3-dihydroimidazo[1,2-c]pyrimidine-1-carboxylate
SMILESCc1cc(Oc2c(F)cc(COc3cc4n(c(=O)n3)C[C@H](C)N4C(=O)OC(C)(C)C)cc2F)ccn1
InChIInChI=1S/C25H26F2N4O5/c1-14-8-17(6-7-28-14)35-22-18(26)9-16(10-19(22)27)13-34-20-11-21-30(23(32)29-20)12-15(2)31(21)24(33)36-25(3,4)5/h6-11,15H,12-13H2,1-5H3/t15-/m0/s1
InChIKeyRPEHGQHFMZRQFX-HNNXBMFYSA-N
XLogP4.74
TPSA95.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.50
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze Tert-butyl (2S)-7-[[3,5-difluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]methoxy]-2-methyl-5-oxo-2,3-dihydroimidazo[1,2-c]pyrimidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of Tert-butyl (2S)-7-[[3,5-difluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]methoxy]-2-methyl-5-oxo-2,3-dihydroimidazo[1,2-c]pyrimidine-1-carboxylate?
The IUPAC name of Tert-butyl (2S)-7-[[3,5-difluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]methoxy]-2-methyl-5-oxo-2,3-dihydroimidazo[1,2-c]pyrimidine-1-carboxylate (CID 118685761) is tert-butyl (2S)-7-[[3,5-difluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]methoxy]-2-methyl-5-oxo-2,3-dihydroimidazo[1,2-c]pyrimidine-1-carboxylate.
What is the SMILES notation for Tert-butyl (2S)-7-[[3,5-difluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]methoxy]-2-methyl-5-oxo-2,3-dihydroimidazo[1,2-c]pyrimidine-1-carboxylate?
The canonical SMILES for Tert-butyl (2S)-7-[[3,5-difluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]methoxy]-2-methyl-5-oxo-2,3-dihydroimidazo[1,2-c]pyrimidine-1-carboxylate is Cc1cc(Oc2c(F)cc(COc3cc4n(c(=O)n3)C[C@H](C)N4C(=O)OC(C)(C)C)cc2F)ccn1.
What is the InChIKey of Tert-butyl (2S)-7-[[3,5-difluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]methoxy]-2-methyl-5-oxo-2,3-dihydroimidazo[1,2-c]pyrimidine-1-carboxylate?
The InChIKey is RPEHGQHFMZRQFX-HNNXBMFYSA-N. The full InChI is InChI=1S/C25H26F2N4O5/c1-14-8-17(6-7-28-14)35-22-18(26)9-16(10-19(22)27)13-34-20-11-21-30(23(32)29-20)12-15(2)31(21)24(33)36-25(3,4)5/h6-11,15H,12-13H2,1-5H3/t15-/m0/s1.
What are the key properties of Tert-butyl (2S)-7-[[3,5-difluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]methoxy]-2-methyl-5-oxo-2,3-dihydroimidazo[1,2-c]pyrimidine-1-carboxylate?
Tert-butyl (2S)-7-[[3,5-difluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]methoxy]-2-methyl-5-oxo-2,3-dihydroimidazo[1,2-c]pyrimidine-1-carboxylate has a molecular weight of 500.50 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for Tert-butyl (2S)-7-[[3,5-difluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]methoxy]-2-methyl-5-oxo-2,3-dihydroimidazo[1,2-c]pyrimidine-1-carboxylate is sourced from PubChem (CID 118685761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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