9-(4-methylpyrimidin-2-yl)-6-oxa-9-azaspiro[4.5]decane

C13H19N3O — CID 71916042

IUPAC9-(4-methylpyrimidin-2-yl)-6-oxa-9-azaspiro[4.5]decane
SMILESCc1ccnc(N2CCOC3(CCCC3)C2)n1
InChIInChI=1S/C13H19N3O/c1-11-4-7-14-12(15-11)16-8-9-17-13(10-16)5-2-3-6-13/h4,7H,2-3,5-6,8-10H2,1H3
InChIKeyCMMNRJXPGHPYBY-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.93
Rot. Bonds1

About 9-(4-methylpyrimidin-2-yl)-6-oxa-9-azaspiro[4.5]decane

9-(4-methylpyrimidin-2-yl)-6-oxa-9-azaspiro[4.5]decane (PubChem CID 71916042) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 9-(4-methylpyrimidin-2-yl)-6-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-(4-methylpyrimidin-2-yl)-6-oxa-9-azaspiro[4.5]decane
PubChem CID71916042
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name9-(4-methylpyrimidin-2-yl)-6-oxa-9-azaspiro[4.5]decane
SMILESCc1ccnc(N2CCOC3(CCCC3)C2)n1
InChIInChI=1S/C13H19N3O/c1-11-4-7-14-12(15-11)16-8-9-17-13(10-16)5-2-3-6-13/h4,7H,2-3,5-6,8-10H2,1H3
InChIKeyCMMNRJXPGHPYBY-UHFFFAOYSA-N
XLogP1.93
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-methyl-4-(4-methylpyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138378631
(6R)-4-(5-methylpyrimidin-2-yl)-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97396480
ethane;4-methyl-2-pyrrolidin-1-ylpyrimidine
CID 178079017
(5S)-2-(4-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 95222078
(5S)-2-(4-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonane
CID 170131044
8-pyrimidin-2-yl-4-pyrimidin-4-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 134077831
9-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane
CID 72857697
methyl 2-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)pyrimidine-4-carboxylate
CID 137498664
(6S)-8-pyrazin-2-yl-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97372435
(6R)-4-(5-ethylpyrimidin-2-yl)-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492146
4-methyl-2-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]pyrimidine
CID 75503323
4-[6-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyridazin-3-yl]morpholine
CID 146079475

Frequently Asked Questions

What is the IUPAC name of 9-(4-methylpyrimidin-2-yl)-6-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-(4-methylpyrimidin-2-yl)-6-oxa-9-azaspiro[4.5]decane (CID 71916042) is 9-(4-methylpyrimidin-2-yl)-6-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-(4-methylpyrimidin-2-yl)-6-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-(4-methylpyrimidin-2-yl)-6-oxa-9-azaspiro[4.5]decane is Cc1ccnc(N2CCOC3(CCCC3)C2)n1.
What is the InChIKey of 9-(4-methylpyrimidin-2-yl)-6-oxa-9-azaspiro[4.5]decane?
The InChIKey is CMMNRJXPGHPYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-11-4-7-14-12(15-11)16-8-9-17-13(10-16)5-2-3-6-13/h4,7H,2-3,5-6,8-10H2,1H3.
What are the key properties of 9-(4-methylpyrimidin-2-yl)-6-oxa-9-azaspiro[4.5]decane?
9-(4-methylpyrimidin-2-yl)-6-oxa-9-azaspiro[4.5]decane has a molecular weight of 233.31 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methylpyrimidin-2-yl)-6-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 71916042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).