9-(6-methylpyridazin-3-yl)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane

C17H21N5O2 — CID 134074991

IUPAC9-(6-methylpyridazin-3-yl)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane
SMILESCc1ccc(N2CCCC3(CC(Oc4ncccn4)CO3)C2)nn1
InChIInChI=1S/C17H21N5O2/c1-13-4-5-15(21-20-13)22-9-2-6-17(12-22)10-14(11-23-17)24-16-18-7-3-8-19-16/h3-5,7-8,14H,2,6,9-12H2,1H3
InChIKeyDTXOFNNDEBWBQW-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.78
Rot. Bonds3

About 9-(6-methylpyridazin-3-yl)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane

9-(6-methylpyridazin-3-yl)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane (PubChem CID 134074991) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 9-(6-methylpyridazin-3-yl)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-(6-methylpyridazin-3-yl)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane
PubChem CID134074991
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name9-(6-methylpyridazin-3-yl)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane
SMILESCc1ccc(N2CCCC3(CC(Oc4ncccn4)CO3)C2)nn1
InChIInChI=1S/C17H21N5O2/c1-13-4-5-15(21-20-13)22-9-2-6-17(12-22)10-14(11-23-17)24-16-18-7-3-8-19-16/h3-5,7-8,14H,2,6,9-12H2,1H3
InChIKeyDTXOFNNDEBWBQW-UHFFFAOYSA-N
XLogP1.78
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3S,5S)-9-pyrazin-2-yl-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 97489007
(8S)-2-(6-methylpyridazin-3-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 124801965
(3R,5S)-7-pyrazin-2-yl-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 97394443
3-[(4-methylpiperazin-1-yl)methyl]-9-(6-methylpyridazin-3-yl)-1-oxa-9-azaspiro[4.5]decane
CID 134072596
2-(6-methylpyridazin-3-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155836701
(3R,5R)-9-cyclopropylsulfonyl-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 97489058
7-(6-methylpyridazin-3-yl)-3-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane
CID 134077281
N-methyl-2-[[7-(6-methylpyridazin-3-yl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide
CID 134071044
9-(pyridin-3-ylmethyl)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane
CID 131660794
(3S,5S)-7-methylsulfonyl-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 124521699
(3S,5R)-3-ethoxy-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane
CID 97489632
(5-methyl-1H-pyrazol-3-yl)-[(3S,5R)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97489041

Frequently Asked Questions

What is the IUPAC name of 9-(6-methylpyridazin-3-yl)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-(6-methylpyridazin-3-yl)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane (CID 134074991) is 9-(6-methylpyridazin-3-yl)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-(6-methylpyridazin-3-yl)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-(6-methylpyridazin-3-yl)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane is Cc1ccc(N2CCCC3(CC(Oc4ncccn4)CO3)C2)nn1.
What is the InChIKey of 9-(6-methylpyridazin-3-yl)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane?
The InChIKey is DTXOFNNDEBWBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-13-4-5-15(21-20-13)22-9-2-6-17(12-22)10-14(11-23-17)24-16-18-7-3-8-19-16/h3-5,7-8,14H,2,6,9-12H2,1H3.
What are the key properties of 9-(6-methylpyridazin-3-yl)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane?
9-(6-methylpyridazin-3-yl)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane has a molecular weight of 327.39 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-methylpyridazin-3-yl)-3-pyrimidin-2-yloxy-1-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 134074991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).