5-[6-methyl-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione

C14H14F3N5O2 — CID 165128795

IUPAC5-[6-methyl-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1N1CCC(C(F)(F)F)C1
InChIInChI=1S/C14H14F3N5O2/c1-7-11(22-3-2-8(6-22)14(15,16)17)4-10(21-20-7)9-5-18-13(24)19-12(9)23/h4-5,8H,2-3,6H2,1H3,(H2,18,19,23,24)
InChIKeyMDJKBXJXRATUDK-UHFFFAOYSA-N
MW341.29 g/mol
LogP1.22
Rot. Bonds2

About 5-[6-methyl-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione

5-[6-methyl-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 165128795) has the molecular formula C14H14F3N5O2 and a molecular weight of 341.29 g/mol. Its IUPAC name is 5-[6-methyl-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[6-methyl-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID165128795
Molecular FormulaC14H14F3N5O2
Molecular Weight341.29 g/mol
Exact Mass341.11
IUPAC Name5-[6-methyl-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1N1CCC(C(F)(F)F)C1
InChIInChI=1S/C14H14F3N5O2/c1-7-11(22-3-2-8(6-22)14(15,16)17)4-10(21-20-7)9-5-18-13(24)19-12(9)23/h4-5,8H,2-3,6H2,1H3,(H2,18,19,23,24)
InChIKeyMDJKBXJXRATUDK-UHFFFAOYSA-N
XLogP1.22
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[6-methyl-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

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-[5-[4-(hydroxymethyl)piperidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 163274136
fluorobenzene;5-(6-methyl-5-piperidin-1-ylpyridazin-3-yl)-1H-pyrimidine-2,4-dione
CID 163274221
5-[6-methyl-5-[2-(trifluoromethyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 163394472
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-[4-[(3S)-3-fluoropyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 165128886
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
5-[8-[(3S,4S)-3-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 157032616
4-(3,3-difluoropyrrolidin-1-yl)-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile
CID 163274145
5-[6-methyl-5-[(1S,2S)-2-naphthalen-1-ylcyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 169288691

Frequently Asked Questions

What is the IUPAC name of 5-[6-methyl-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[6-methyl-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione (CID 165128795) is 5-[6-methyl-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[6-methyl-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[6-methyl-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione is Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1N1CCC(C(F)(F)F)C1.
What is the InChIKey of 5-[6-methyl-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is MDJKBXJXRATUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O2/c1-7-11(22-3-2-8(6-22)14(15,16)17)4-10(21-20-7)9-5-18-13(24)19-12(9)23/h4-5,8H,2-3,6H2,1H3,(H2,18,19,23,24).
What are the key properties of 5-[6-methyl-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
5-[6-methyl-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 341.29 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-methyl-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 165128795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).