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

C13H11F3N4O2 — CID 163394472

IUPAC5-[6-methyl-5-[2-(trifluoromethyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1C1CC1C(F)(F)F
InChIInChI=1S/C13H11F3N4O2/c1-5-6(7-2-9(7)13(14,15)16)3-10(20-19-5)8-4-17-12(22)18-11(8)21/h3-4,7,9H,2H2,1H3,(H2,17,18,21,22)
InChIKeyQPSXTFQYLSAYSC-UHFFFAOYSA-N
MW312.25 g/mol
LogP1.49
Rot. Bonds2

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

5-[6-methyl-5-[2-(trifluoromethyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 163394472) has the molecular formula C13H11F3N4O2 and a molecular weight of 312.25 g/mol. Its IUPAC name is 5-[6-methyl-5-[2-(trifluoromethyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[6-methyl-5-[2-(trifluoromethyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID163394472
Molecular FormulaC13H11F3N4O2
Molecular Weight312.25 g/mol
Exact Mass312.08
IUPAC Name5-[6-methyl-5-[2-(trifluoromethyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1C1CC1C(F)(F)F
InChIInChI=1S/C13H11F3N4O2/c1-5-6(7-2-9(7)13(14,15)16)3-10(20-19-5)8-4-17-12(22)18-11(8)21/h3-4,7,9H,2H2,1H3,(H2,17,18,21,22)
InChIKeyQPSXTFQYLSAYSC-UHFFFAOYSA-N
XLogP1.49
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[6-(2-cyclopropylethynyl)-5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 163289236
5-[6-methyl-5-[(1S,2R)-2-[(E)-prop-1-enyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 166999421
5-[6-methyl-5-[(1S,2S)-2-naphthalen-1-ylcyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 169288691
ethane;5-[6-methyl-5-(2-propylcyclopropyl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione;molecular hydrogen
CID 153338377
5-[5-(2-benzylcyclopropyl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 169288707
5-[3-chloro-8-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
CID 163216814
5-[6-methyl-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 165128795
5-[6-chloro-5-[(1S,2R)-2-(2,2,2-trifluoroethyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 163289425
5-[5-[(1S,2S)-2-phenylcyclopropyl]-6-(trifluoromethoxy)pyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 166999572
5-[5-[(1S,2S)-2-ethynylcyclopropyl]-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 166999503
5-[6-chloro-5-[(1S,2S)-2-ethenylcyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 169288703
6-(2,4-dioxo-1H-pyrimidin-5-yl)-4-[2-[(E)-2-fluoroethenyl]cyclopropyl]pyridazine-3-carbonitrile
CID 169493819

Frequently Asked Questions

What is the IUPAC name of 5-[6-methyl-5-[2-(trifluoromethyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[6-methyl-5-[2-(trifluoromethyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione (CID 163394472) is 5-[6-methyl-5-[2-(trifluoromethyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[6-methyl-5-[2-(trifluoromethyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[6-methyl-5-[2-(trifluoromethyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione is Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1C1CC1C(F)(F)F.
What is the InChIKey of 5-[6-methyl-5-[2-(trifluoromethyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is QPSXTFQYLSAYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O2/c1-5-6(7-2-9(7)13(14,15)16)3-10(20-19-5)8-4-17-12(22)18-11(8)21/h3-4,7,9H,2H2,1H3,(H2,17,18,21,22).
What are the key properties of 5-[6-methyl-5-[2-(trifluoromethyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
5-[6-methyl-5-[2-(trifluoromethyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 312.25 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-methyl-5-[2-(trifluoromethyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 163394472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).