5-[5-(3,3-difluorocyclobutyl)-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione

C13H12F2N4O3 — CID 149128190

IUPAC5-[5-(3,3-difluorocyclobutyl)-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCOc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1C1CC(F)(F)C1
InChIInChI=1S/C13H12F2N4O3/c1-22-11-7(6-3-13(14,15)4-6)2-9(18-19-11)8-5-16-12(21)17-10(8)20/h2,5-6H,3-4H2,1H3,(H2,16,17,20,21)
InChIKeyRBOSEAYBAPUFLX-UHFFFAOYSA-N
MW310.26 g/mol
LogP1.04
Rot. Bonds3

About 5-[5-(3,3-difluorocyclobutyl)-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione

5-[5-(3,3-difluorocyclobutyl)-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 149128190) has the molecular formula C13H12F2N4O3 and a molecular weight of 310.26 g/mol. Its IUPAC name is 5-[5-(3,3-difluorocyclobutyl)-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[5-(3,3-difluorocyclobutyl)-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID149128190
Molecular FormulaC13H12F2N4O3
Molecular Weight310.26 g/mol
Exact Mass310.09
IUPAC Name5-[5-(3,3-difluorocyclobutyl)-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCOc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1C1CC(F)(F)C1
InChIInChI=1S/C13H12F2N4O3/c1-22-11-7(6-3-13(14,15)4-6)2-9(18-19-11)8-5-16-12(21)17-10(8)20/h2,5-6H,3-4H2,1H3,(H2,16,17,20,21)
InChIKeyRBOSEAYBAPUFLX-UHFFFAOYSA-N
XLogP1.04
TPSA100.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(3,3-difluorocyclobutyl)-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[5-(3,3-difluorocyclobutyl)-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione (CID 149128190) is 5-[5-(3,3-difluorocyclobutyl)-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[5-(3,3-difluorocyclobutyl)-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[5-(3,3-difluorocyclobutyl)-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione is COc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1C1CC(F)(F)C1.
What is the InChIKey of 5-[5-(3,3-difluorocyclobutyl)-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is RBOSEAYBAPUFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N4O3/c1-22-11-7(6-3-13(14,15)4-6)2-9(18-19-11)8-5-16-12(21)17-10(8)20/h2,5-6H,3-4H2,1H3,(H2,16,17,20,21).
What are the key properties of 5-[5-(3,3-difluorocyclobutyl)-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione?
5-[5-(3,3-difluorocyclobutyl)-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 310.26 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3,3-difluorocyclobutyl)-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 149128190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).