5-[5-[3-(4-fluorophenyl)azetidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione

C18H16FN5O2 — CID 163274223

IUPAC5-[5-[3-(4-fluorophenyl)azetidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1N1CC(c2ccc(F)cc2)C1
InChIInChI=1S/C18H16FN5O2/c1-10-16(24-8-12(9-24)11-2-4-13(19)5-3-11)6-15(23-22-10)14-7-20-18(26)21-17(14)25/h2-7,12H,8-9H2,1H3,(H2,20,21,25,26)
InChIKeySQGRFNXDRCCNHW-UHFFFAOYSA-N
MW353.36 g/mol
LogP1.57
Rot. Bonds3

About 5-[5-[3-(4-fluorophenyl)azetidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione

5-[5-[3-(4-fluorophenyl)azetidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 163274223) has the molecular formula C18H16FN5O2 and a molecular weight of 353.36 g/mol. Its IUPAC name is 5-[5-[3-(4-fluorophenyl)azetidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[5-[3-(4-fluorophenyl)azetidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID163274223
Molecular FormulaC18H16FN5O2
Molecular Weight353.36 g/mol
Exact Mass353.13
IUPAC Name5-[5-[3-(4-fluorophenyl)azetidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1N1CC(c2ccc(F)cc2)C1
InChIInChI=1S/C18H16FN5O2/c1-10-16(24-8-12(9-24)11-2-4-13(19)5-3-11)6-15(23-22-10)14-7-20-18(26)21-17(14)25/h2-7,12H,8-9H2,1H3,(H2,20,21,25,26)
InChIKeySQGRFNXDRCCNHW-UHFFFAOYSA-N
XLogP1.57
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,4-dioxo-1H-pyrimidin-5-yl)-4-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 178297968
N-[4-[1-(2-fluorobenzoyl)piperidin-4-yl]phenyl]-1-(3-methylpyridazin-4-yl)azetidine-3-carboxamide
CID 89896647
6-(2,6-Difluorophenyl)-4-[(1-methyl-6-oxo-3-pyridinyl)amino]pyridazine-3-carboxamide
CID 153524334
5-[5-[3-[(4-fluorophenyl)methyl]pyrrol-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 162434006
5-[5-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 163274087
5-[5-[3-(4-fluorophenyl)piperidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 163274104
5-[5-[(3S)-3-(4-fluorophenyl)piperidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 163274146
5-[5-[3-(4-fluorophenyl)pyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 163274163
5-[5-[(3R)-3-(4-fluorophenyl)piperidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 163274200
5-[5-(3-fluoropiperidin-1-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 165128784
5-[6-methyl-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 165128795
5-[5-[(3S)-3-fluoropyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 165128862

Frequently Asked Questions

What is the IUPAC name of 5-[5-[3-(4-fluorophenyl)azetidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[5-[3-(4-fluorophenyl)azetidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione (CID 163274223) is 5-[5-[3-(4-fluorophenyl)azetidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[5-[3-(4-fluorophenyl)azetidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[5-[3-(4-fluorophenyl)azetidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione is Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1N1CC(c2ccc(F)cc2)C1.
What is the InChIKey of 5-[5-[3-(4-fluorophenyl)azetidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is SQGRFNXDRCCNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2/c1-10-16(24-8-12(9-24)11-2-4-13(19)5-3-11)6-15(23-22-10)14-7-20-18(26)21-17(14)25/h2-7,12H,8-9H2,1H3,(H2,20,21,25,26).
What are the key properties of 5-[5-[3-(4-fluorophenyl)azetidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
5-[5-[3-(4-fluorophenyl)azetidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 353.36 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3-(4-fluorophenyl)azetidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 163274223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).