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

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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).