5-[6-methyl-5-[(1S,2R)-2-[(E)-prop-1-enyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione

C15H16N4O2 — CID 166999421

IUPAC5-[6-methyl-5-[(1S,2R)-2-[(E)-prop-1-enyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESC/C=C/[C@H]1C[C@@H]1c1cc(-c2c[nH]c(=O)[nH]c2=O)nnc1C
InChIInChI=1S/C15H16N4O2/c1-3-4-9-5-11(9)10-6-13(19-18-8(10)2)12-7-16-15(21)17-14(12)20/h3-4,6-7,9,11H,5H2,1-2H3,(H2,16,17,20,21)/b4-3+/t9-,11-/m0/s1
InChIKeyZFSBGKWLJKCQHR-UEVFTQGLSA-N
MW284.32 g/mol
LogP1.51
Rot. Bonds3

About 5-[6-methyl-5-[(1S,2R)-2-[(E)-prop-1-enyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione

5-[6-methyl-5-[(1S,2R)-2-[(E)-prop-1-enyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 166999421) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-[6-methyl-5-[(1S,2R)-2-[(E)-prop-1-enyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[6-methyl-5-[(1S,2R)-2-[(E)-prop-1-enyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID166999421
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name5-[6-methyl-5-[(1S,2R)-2-[(E)-prop-1-enyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESC/C=C/[C@H]1C[C@@H]1c1cc(-c2c[nH]c(=O)[nH]c2=O)nnc1C
InChIInChI=1S/C15H16N4O2/c1-3-4-9-5-11(9)10-6-13(19-18-8(10)2)12-7-16-15(21)17-14(12)20/h3-4,6-7,9,11H,5H2,1-2H3,(H2,16,17,20,21)/b4-3+/t9-,11-/m0/s1
InChIKeyZFSBGKWLJKCQHR-UEVFTQGLSA-N
XLogP1.51
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[6-methyl-5-[2-(trifluoromethyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 163394472
6-(2,4-dioxo-1H-pyrimidin-5-yl)-4-[2-[(E)-2-fluoroethenyl]cyclopropyl]pyridazine-3-carbonitrile
CID 169493819
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-[6-chloro-5-[(1S,2S)-2-ethenylcyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 169288703
5-[6-methoxy-5-[(1S,2R)-2-[(E)-2-pyridin-4-ylethenyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 166999603
5-[5-[(1S,2S)-2-ethynylcyclopropyl]-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 166999503
5-[5-[4-(hydroxymethyl)piperidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 163274136
5-[6-(2-cyclopropylethynyl)-5-[(1R,2R)-2-(difluoromethyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 163289241
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-[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]pyridazine-3-carbonitrile
CID 169288688

Frequently Asked Questions

What is the IUPAC name of 5-[6-methyl-5-[(1S,2R)-2-[(E)-prop-1-enyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[6-methyl-5-[(1S,2R)-2-[(E)-prop-1-enyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione (CID 166999421) is 5-[6-methyl-5-[(1S,2R)-2-[(E)-prop-1-enyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[6-methyl-5-[(1S,2R)-2-[(E)-prop-1-enyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[6-methyl-5-[(1S,2R)-2-[(E)-prop-1-enyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione is C/C=C/[C@H]1C[C@@H]1c1cc(-c2c[nH]c(=O)[nH]c2=O)nnc1C.
What is the InChIKey of 5-[6-methyl-5-[(1S,2R)-2-[(E)-prop-1-enyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is ZFSBGKWLJKCQHR-UEVFTQGLSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-3-4-9-5-11(9)10-6-13(19-18-8(10)2)12-7-16-15(21)17-14(12)20/h3-4,6-7,9,11H,5H2,1-2H3,(H2,16,17,20,21)/b4-3+/t9-,11-/m0/s1.
What are the key properties of 5-[6-methyl-5-[(1S,2R)-2-[(E)-prop-1-enyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
5-[6-methyl-5-[(1S,2R)-2-[(E)-prop-1-enyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 284.32 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-methyl-5-[(1S,2R)-2-[(E)-prop-1-enyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 166999421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).