5-[5-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione

C15H15F2N5O2 — CID 165128873

IUPAC5-[5-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1N1CCC2(C1)CC2(F)F
InChIInChI=1S/C15H15F2N5O2/c1-8-11(22-3-2-14(7-22)6-15(14,16)17)4-10(21-20-8)9-5-18-13(24)19-12(9)23/h4-5H,2-3,6-7H2,1H3,(H2,18,19,23,24)
InChIKeyYHTFZBMUBYFMQM-UHFFFAOYSA-N
MW335.31 g/mol
LogP1.06
Rot. Bonds2

About 5-[5-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione

5-[5-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 165128873) has the molecular formula C15H15F2N5O2 and a molecular weight of 335.31 g/mol. Its IUPAC name is 5-[5-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[5-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID165128873
Molecular FormulaC15H15F2N5O2
Molecular Weight335.31 g/mol
Exact Mass335.12
IUPAC Name5-[5-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1N1CCC2(C1)CC2(F)F
InChIInChI=1S/C15H15F2N5O2/c1-8-11(22-3-2-14(7-22)6-15(14,16)17)4-10(21-20-8)9-5-18-13(24)19-12(9)23/h4-5H,2-3,6-7H2,1H3,(H2,18,19,23,24)
InChIKeyYHTFZBMUBYFMQM-UHFFFAOYSA-N
XLogP1.06
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[5-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione (CID 165128873) is 5-[5-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[5-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[5-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione is Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1N1CCC2(C1)CC2(F)F.
What is the InChIKey of 5-[5-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is YHTFZBMUBYFMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N5O2/c1-8-11(22-3-2-14(7-22)6-15(14,16)17)4-10(21-20-8)9-5-18-13(24)19-12(9)23/h4-5H,2-3,6-7H2,1H3,(H2,18,19,23,24).
What are the key properties of 5-[5-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
5-[5-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 335.31 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 165128873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).