5-[5-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione

C18H15FN4O3 — CID 166999455

IUPAC5-[5-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCOc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1[C@H]1C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C18H15FN4O3/c1-26-17-13(12-6-11(12)9-2-4-10(19)5-3-9)7-15(22-23-17)14-8-20-18(25)21-16(14)24/h2-5,7-8,11-12H,6H2,1H3,(H2,20,21,24,25)/t11-,12+/m1/s1
InChIKeyVRSGXTOBOFOXEQ-NEPJUHHUSA-N
MW354.34 g/mol
LogP1.94
Rot. Bonds4

About 5-[5-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione

5-[5-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 166999455) has the molecular formula C18H15FN4O3 and a molecular weight of 354.34 g/mol. Its IUPAC name is 5-[5-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[5-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID166999455
Molecular FormulaC18H15FN4O3
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC Name5-[5-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCOc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1[C@H]1C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C18H15FN4O3/c1-26-17-13(12-6-11(12)9-2-4-10(19)5-3-9)7-15(22-23-17)14-8-20-18(25)21-16(14)24/h2-5,7-8,11-12H,6H2,1H3,(H2,20,21,24,25)/t11-,12+/m1/s1
InChIKeyVRSGXTOBOFOXEQ-NEPJUHHUSA-N
XLogP1.94
TPSA100.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[5-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione (CID 166999455) is 5-[5-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[5-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[5-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione is COc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1[C@H]1C[C@@H]1c1ccc(F)cc1.
What is the InChIKey of 5-[5-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is VRSGXTOBOFOXEQ-NEPJUHHUSA-N. The full InChI is InChI=1S/C18H15FN4O3/c1-26-17-13(12-6-11(12)9-2-4-10(19)5-3-9)7-15(22-23-17)14-8-20-18(25)21-16(14)24/h2-5,7-8,11-12H,6H2,1H3,(H2,20,21,24,25)/t11-,12+/m1/s1.
What are the key properties of 5-[5-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione?
5-[5-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 354.34 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-6-methoxypyridazin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 166999455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).