5-[5-(6-azaspiro[3.4]octan-6-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione

C16H19N5O2 — CID 165128800

IUPAC5-[5-(6-azaspiro[3.4]octan-6-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1N1CCC2(CCC2)C1
InChIInChI=1S/C16H19N5O2/c1-10-13(21-6-5-16(9-21)3-2-4-16)7-12(20-19-10)11-8-17-15(23)18-14(11)22/h7-8H,2-6,9H2,1H3,(H2,17,18,22,23)
InChIKeyZFLJTMBNXYCMRI-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.21
Rot. Bonds2

About 5-[5-(6-azaspiro[3.4]octan-6-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione

5-[5-(6-azaspiro[3.4]octan-6-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 165128800) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 5-[5-(6-azaspiro[3.4]octan-6-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[5-(6-azaspiro[3.4]octan-6-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID165128800
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name5-[5-(6-azaspiro[3.4]octan-6-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1N1CCC2(CCC2)C1
InChIInChI=1S/C16H19N5O2/c1-10-13(21-6-5-16(9-21)3-2-4-16)7-12(20-19-10)11-8-17-15(23)18-14(11)22/h7-8H,2-6,9H2,1H3,(H2,17,18,22,23)
InChIKeyZFLJTMBNXYCMRI-UHFFFAOYSA-N
XLogP1.21
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[5-(6-azaspiro[3.4]octan-6-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

fluorobenzene;5-(6-methyl-5-piperidin-1-ylpyridazin-3-yl)-1H-pyrimidine-2,4-dione
CID 163274221
5-[5-(3-cyclopropylpyrrolidin-1-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 163274202
5-[5-[4-(hydroxymethyl)piperidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 163274136
5-[5-[(3S)-3-ethylpyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 163274132
5-[6-methyl-5-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 165128795
5-[6-methyl-5-[(3R)-3-methylsulfonylpyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 163274115
4-(3,3-difluoropyrrolidin-1-yl)-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile
CID 163274145
4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile
CID 163274209
5-[6-methyl-5-[2-(trifluoromethyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 163394472
ethane;5-[6-methyl-5-(2-propylcyclopropyl)pyridazin-3-yl]-1H-pyrimidine-2,4-dione;molecular hydrogen
CID 153338377
1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-3-fluoropyrrolidine-3-carbonitrile
CID 157033371
5-[6-methyl-5-[(1S,2R)-2-[(E)-prop-1-enyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 166999421

Frequently Asked Questions

What is the IUPAC name of 5-[5-(6-azaspiro[3.4]octan-6-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[5-(6-azaspiro[3.4]octan-6-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione (CID 165128800) is 5-[5-(6-azaspiro[3.4]octan-6-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[5-(6-azaspiro[3.4]octan-6-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[5-(6-azaspiro[3.4]octan-6-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione is Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1N1CCC2(CCC2)C1.
What is the InChIKey of 5-[5-(6-azaspiro[3.4]octan-6-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is ZFLJTMBNXYCMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-10-13(21-6-5-16(9-21)3-2-4-16)7-12(20-19-10)11-8-17-15(23)18-14(11)22/h7-8H,2-6,9H2,1H3,(H2,17,18,22,23).
What are the key properties of 5-[5-(6-azaspiro[3.4]octan-6-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
5-[5-(6-azaspiro[3.4]octan-6-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 313.36 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(6-azaspiro[3.4]octan-6-yl)-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 165128800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).