4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile

C15H14F2N6O2 — CID 163274209

IUPAC4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile
SMILESCC1(C)CN(c2cc(-c3c[nH]c(=O)[nH]c3=O)nnc2C#N)CC1(F)F
InChIInChI=1S/C15H14F2N6O2/c1-14(2)6-23(7-15(14,16)17)11-3-9(21-22-10(11)4-18)8-5-19-13(25)20-12(8)24/h3,5H,6-7H2,1-2H3,(H2,19,20,24,25)
InChIKeyPPQHCUQXHWVVKH-UHFFFAOYSA-N
MW348.31 g/mol
LogP0.87
Rot. Bonds2

About 4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile

4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile (PubChem CID 163274209) has the molecular formula C15H14F2N6O2 and a molecular weight of 348.31 g/mol. Its IUPAC name is 4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile.

Molecular Properties

Compound Name4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile
PubChem CID163274209
Molecular FormulaC15H14F2N6O2
Molecular Weight348.31 g/mol
Exact Mass348.11
IUPAC Name4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile
SMILESCC1(C)CN(c2cc(-c3c[nH]c(=O)[nH]c3=O)nnc2C#N)CC1(F)F
InChIInChI=1S/C15H14F2N6O2/c1-14(2)6-23(7-15(14,16)17)11-3-9(21-22-10(11)4-18)8-5-19-13(25)20-12(8)24/h3,5H,6-7H2,1-2H3,(H2,19,20,24,25)
InChIKeyPPQHCUQXHWVVKH-UHFFFAOYSA-N
XLogP0.87
TPSA118.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3,3-difluoropyrrolidin-1-yl)-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile
CID 163274145
4-[(1S)-2,2-difluorocyclopropyl]-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile;molecular hydrogen
CID 153338359
5-[5-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)imidazo[1,2-a]pyrimidin-7-yl]-1H-pyrimidine-2,4-dione
CID 157033417
6-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(2-phenylmorpholin-4-yl)pyridazine-3-carbonitrile
CID 163274114
4-[(1S,2S)-2-(3,5-difluorophenyl)cyclopropyl]-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile
CID 166999579
6-(2,4-dioxo-1H-pyrimidin-5-yl)-4-[2-[(E)-2-fluoroethenyl]cyclopropyl]pyridazine-3-carbonitrile
CID 169493819
5-[5-(6-azaspiro[3.4]octan-6-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 165128800
1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-3-fluoropyrrolidine-3-carbonitrile
CID 157033371
6-(2,4-dioxo-1H-pyrimidin-5-yl)-4-[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]pyridazine-3-carbonitrile
CID 169288688
5-[8-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157032251
6-(2,4-dioxo-1H-pyrimidin-5-yl)-4-[(1S,2S)-2-(4-methylsulfonylphenyl)cyclopropyl]pyridazine-3-carbonitrile
CID 169288686
5-(3-cyclopropyl-1-methylpyrazolo[3,4-c]pyridazin-5-yl)-1H-pyrimidine-2,4-dione
CID 170786560

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile?
The IUPAC name of 4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile (CID 163274209) is 4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile.
What is the SMILES notation for 4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile?
The canonical SMILES for 4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile is CC1(C)CN(c2cc(-c3c[nH]c(=O)[nH]c3=O)nnc2C#N)CC1(F)F.
What is the InChIKey of 4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile?
The InChIKey is PPQHCUQXHWVVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N6O2/c1-14(2)6-23(7-15(14,16)17)11-3-9(21-22-10(11)4-18)8-5-19-13(25)20-12(8)24/h3,5H,6-7H2,1-2H3,(H2,19,20,24,25).
What are the key properties of 4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile?
4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile has a molecular weight of 348.31 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile is sourced from PubChem (CID 163274209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).