6-[3-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]azetidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione

C19H19N5O4 — CID 139027528

IUPAC6-[3-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]azetidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCOc1ccccc1-c1ccc(=O)n(C2CN(c3cc(=O)n(C)c(=O)[nH]3)C2)n1
InChIInChI=1S/C19H19N5O4/c1-22-18(26)9-16(20-19(22)27)23-10-12(11-23)24-17(25)8-7-14(21-24)13-5-3-4-6-15(13)28-2/h3-9,12H,10-11H2,1-2H3,(H,20,27)
InChIKeyOSLQJBJJIHNNFS-UHFFFAOYSA-N
MW381.39 g/mol
LogP0.37
Rot. Bonds4

About 6-[3-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]azetidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione

6-[3-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]azetidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 139027528) has the molecular formula C19H19N5O4 and a molecular weight of 381.39 g/mol. Its IUPAC name is 6-[3-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]azetidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[3-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]azetidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID139027528
Molecular FormulaC19H19N5O4
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC Name6-[3-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]azetidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCOc1ccccc1-c1ccc(=O)n(C2CN(c3cc(=O)n(C)c(=O)[nH]3)C2)n1
InChIInChI=1S/C19H19N5O4/c1-22-18(26)9-16(20-19(22)27)23-10-12(11-23)24-17(25)8-7-14(21-24)13-5-3-4-6-15(13)28-2/h3-9,12H,10-11H2,1-2H3,(H,20,27)
InChIKeyOSLQJBJJIHNNFS-UHFFFAOYSA-N
XLogP0.37
TPSA102.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[3-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]azetidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]-6-(2-methoxyphenyl)pyridazin-3-one
CID 146079070
6-(2-methoxyphenyl)-2-(2-piperidin-1-ylethyl)pyridazin-3-one
CID 7662869
6-(4-chloro-2-methoxyphenyl)-2-[1-(2-cyclopropylbenzoyl)azetidin-3-yl]pyridazin-3-one
CID 177184228
6-(2-methoxyphenyl)-2-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]pyridazin-3-one
CID 96558044
6-(2-methoxyphenyl)-2-[(4-methylphenyl)methyl]pyridazin-3-one
CID 7662773
2-(1-benzoylpiperidin-4-yl)-6-(4-chloro-2-methoxyphenyl)pyridazin-3-one
CID 177184137
3,5-bis(2-methoxyphenyl)-1-methylpyrazole
CID 19586953
4-(2-methoxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136691878
6-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
CID 126911586
3-(2-methoxyphenoxy)-4-methyl-1H-1,2,4-triazol-5-one
CID 67644966
1-cyclohexyl-3-(2-methoxyphenyl)-5-phenylpyrazole
CID 71566841
N-(3,5-dimethylphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662639

Frequently Asked Questions

What is the IUPAC name of 6-[3-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]azetidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[3-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]azetidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione (CID 139027528) is 6-[3-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]azetidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[3-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]azetidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[3-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]azetidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione is COc1ccccc1-c1ccc(=O)n(C2CN(c3cc(=O)n(C)c(=O)[nH]3)C2)n1.
What is the InChIKey of 6-[3-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]azetidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is OSLQJBJJIHNNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4/c1-22-18(26)9-16(20-19(22)27)23-10-12(11-23)24-17(25)8-7-14(21-24)13-5-3-4-6-15(13)28-2/h3-9,12H,10-11H2,1-2H3,(H,20,27).
What are the key properties of 6-[3-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]azetidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?
6-[3-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]azetidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 381.39 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]azetidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 139027528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).