5-[4-[(3S)-3-fluoropyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione

C12H12FN5O2 — CID 165128886

IUPAC5-[4-[(3S)-3-fluoropyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2nnccc2N2CC[C@H](F)C2)c(=O)[nH]1
InChIInChI=1S/C12H12FN5O2/c13-7-2-4-18(6-7)9-1-3-15-17-10(9)8-5-14-12(20)16-11(8)19/h1,3,5,7H,2,4,6H2,(H2,14,16,19,20)/t7-/m0/s1
InChIKeySJYPFINSSUJKOT-ZETCQYMHSA-N
MW277.26 g/mol
LogP0.07
Rot. Bonds2

About 5-[4-[(3S)-3-fluoropyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione

5-[4-[(3S)-3-fluoropyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 165128886) has the molecular formula C12H12FN5O2 and a molecular weight of 277.26 g/mol. Its IUPAC name is 5-[4-[(3S)-3-fluoropyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[4-[(3S)-3-fluoropyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID165128886
Molecular FormulaC12H12FN5O2
Molecular Weight277.26 g/mol
Exact Mass277.10
IUPAC Name5-[4-[(3S)-3-fluoropyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2nnccc2N2CC[C@H](F)C2)c(=O)[nH]1
InChIInChI=1S/C12H12FN5O2/c13-7-2-4-18(6-7)9-1-3-15-17-10(9)8-5-14-12(20)16-11(8)19/h1,3,5,7H,2,4,6H2,(H2,14,16,19,20)/t7-/m0/s1
InChIKeySJYPFINSSUJKOT-ZETCQYMHSA-N
XLogP0.07
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[4-[(3S)-3-fluoropyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

5-[3-fluoro-8-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione;hydrofluoride
CID 157034236
5-[6-methyl-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 165128795
5-[5-(3-cyclopropylpyrrolidin-1-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 163274202
5-[5-[(3S)-3-ethylpyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 163274132
5-[6-methyl-5-[(3R)-3-methylsulfonylpyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 163274115
5-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-1H-pyrimidine-2,4-dione
CID 100996189
5-(3-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
CID 144953512
5-[5-[4-(hydroxymethyl)piperidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 163274136
5-[8-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157034445
5-[8-(4-methylpiperidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 166827575
5-[8-(3-prop-2-ynylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157035090
ethane;5-[3-fluoro-8-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157033492

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3S)-3-fluoropyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[4-[(3S)-3-fluoropyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione (CID 165128886) is 5-[4-[(3S)-3-fluoropyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[4-[(3S)-3-fluoropyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[4-[(3S)-3-fluoropyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(-c2nnccc2N2CC[C@H](F)C2)c(=O)[nH]1.
What is the InChIKey of 5-[4-[(3S)-3-fluoropyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is SJYPFINSSUJKOT-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H12FN5O2/c13-7-2-4-18(6-7)9-1-3-15-17-10(9)8-5-14-12(20)16-11(8)19/h1,3,5,7H,2,4,6H2,(H2,14,16,19,20)/t7-/m0/s1.
What are the key properties of 5-[4-[(3S)-3-fluoropyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
5-[4-[(3S)-3-fluoropyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 277.26 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3S)-3-fluoropyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 165128886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).