5-[7-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-diazinane-2,4-dione

C16H18F2N6O2 — CID 171368461

IUPAC5-[7-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-diazinane-2,4-dione
SMILESCC1(C)CN(c2cc(C3CNC(=O)NC3=O)nc3ccnn23)CC1(F)F
InChIInChI=1S/C16H18F2N6O2/c1-15(2)7-23(8-16(15,17)18)12-5-10(21-11-3-4-20-24(11)12)9-6-19-14(26)22-13(9)25/h3-5,9H,6-8H2,1-2H3,(H2,19,22,25,26)
InChIKeyGUHQGAZBCSWRKM-UHFFFAOYSA-N
MW364.36 g/mol
LogP1.13
Rot. Bonds2

About 5-[7-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-diazinane-2,4-dione

5-[7-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-diazinane-2,4-dione (PubChem CID 171368461) has the molecular formula C16H18F2N6O2 and a molecular weight of 364.36 g/mol. Its IUPAC name is 5-[7-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-[7-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-diazinane-2,4-dione
PubChem CID171368461
Molecular FormulaC16H18F2N6O2
Molecular Weight364.36 g/mol
Exact Mass364.15
IUPAC Name5-[7-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-diazinane-2,4-dione
SMILESCC1(C)CN(c2cc(C3CNC(=O)NC3=O)nc3ccnn23)CC1(F)F
InChIInChI=1S/C16H18F2N6O2/c1-15(2)7-23(8-16(15,17)18)12-5-10(21-11-3-4-20-24(11)12)9-6-19-14(26)22-13(9)25/h3-5,9H,6-8H2,1-2H3,(H2,19,22,25,26)
InChIKeyGUHQGAZBCSWRKM-UHFFFAOYSA-N
XLogP1.13
TPSA91.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[7-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 5-[7-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-diazinane-2,4-dione (CID 171368461) is 5-[7-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-[7-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-[7-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-diazinane-2,4-dione is CC1(C)CN(c2cc(C3CNC(=O)NC3=O)nc3ccnn23)CC1(F)F.
What is the InChIKey of 5-[7-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-diazinane-2,4-dione?
The InChIKey is GUHQGAZBCSWRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N6O2/c1-15(2)7-23(8-16(15,17)18)12-5-10(21-11-3-4-20-24(11)12)9-6-19-14(26)22-13(9)25/h3-5,9H,6-8H2,1-2H3,(H2,19,22,25,26).
What are the key properties of 5-[7-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-diazinane-2,4-dione?
5-[7-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-diazinane-2,4-dione has a molecular weight of 364.36 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171368461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).