2-(2-ethyl-6-methylpyrimidin-4-yl)-8-oxa-2-azaspiro[4.5]decane

C15H23N3O — CID 126827005

IUPAC2-(2-ethyl-6-methylpyrimidin-4-yl)-8-oxa-2-azaspiro[4.5]decane
SMILESCCc1nc(C)cc(N2CCC3(CCOCC3)C2)n1
InChIInChI=1S/C15H23N3O/c1-3-13-16-12(2)10-14(17-13)18-7-4-15(11-18)5-8-19-9-6-15/h10H,3-9,11H2,1-2H3
InChIKeyIPQOQOUPXWCCTB-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.35
Rot. Bonds2

About 2-(2-ethyl-6-methylpyrimidin-4-yl)-8-oxa-2-azaspiro[4.5]decane

2-(2-ethyl-6-methylpyrimidin-4-yl)-8-oxa-2-azaspiro[4.5]decane (PubChem CID 126827005) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(2-ethyl-6-methylpyrimidin-4-yl)-8-oxa-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name2-(2-ethyl-6-methylpyrimidin-4-yl)-8-oxa-2-azaspiro[4.5]decane
PubChem CID126827005
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-(2-ethyl-6-methylpyrimidin-4-yl)-8-oxa-2-azaspiro[4.5]decane
SMILESCCc1nc(C)cc(N2CCC3(CCOCC3)C2)n1
InChIInChI=1S/C15H23N3O/c1-3-13-16-12(2)10-14(17-13)18-7-4-15(11-18)5-8-19-9-6-15/h10H,3-9,11H2,1-2H3
InChIKeyIPQOQOUPXWCCTB-UHFFFAOYSA-N
XLogP2.35
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(2,5,6-Trimethylpyrimidin-4-yl)-2-oxa-7-azaspiro[4.4]nonane
CID 71969218
4,6-Dimethyl-2-[1-(oxan-4-yl)pyrrolidin-3-yl]pyrimidine
CID 110271060
4-N,4-N,6-trimethyl-2-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine
CID 145984934
4-[[(3R)-1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]morpholine
CID 97575919
(5S)-7-(4-methylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.4]nonane
CID 97597976
4-[[(2R)-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]morpholine
CID 99714323
5-(2-Cyclopropyl-6-methylpyrimidin-4-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 121020715
(5S)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-7-oxa-2-azaspiro[4.5]decane
CID 164630642
N,N-dimethyl-2-[(5S)-7-oxa-2-azaspiro[4.5]decan-2-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 164632020
(4R)-2-(2,6-dimethylpyrimidin-4-yl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decan-4-amine
CID 164634257
2-N-methyl-4-N-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 105903250
4-N-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 105903344

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-6-methylpyrimidin-4-yl)-8-oxa-2-azaspiro[4.5]decane?
The IUPAC name of 2-(2-ethyl-6-methylpyrimidin-4-yl)-8-oxa-2-azaspiro[4.5]decane (CID 126827005) is 2-(2-ethyl-6-methylpyrimidin-4-yl)-8-oxa-2-azaspiro[4.5]decane.
What is the SMILES notation for 2-(2-ethyl-6-methylpyrimidin-4-yl)-8-oxa-2-azaspiro[4.5]decane?
The canonical SMILES for 2-(2-ethyl-6-methylpyrimidin-4-yl)-8-oxa-2-azaspiro[4.5]decane is CCc1nc(C)cc(N2CCC3(CCOCC3)C2)n1.
What is the InChIKey of 2-(2-ethyl-6-methylpyrimidin-4-yl)-8-oxa-2-azaspiro[4.5]decane?
The InChIKey is IPQOQOUPXWCCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-13-16-12(2)10-14(17-13)18-7-4-15(11-18)5-8-19-9-6-15/h10H,3-9,11H2,1-2H3.
What are the key properties of 2-(2-ethyl-6-methylpyrimidin-4-yl)-8-oxa-2-azaspiro[4.5]decane?
2-(2-ethyl-6-methylpyrimidin-4-yl)-8-oxa-2-azaspiro[4.5]decane has a molecular weight of 261.37 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-6-methylpyrimidin-4-yl)-8-oxa-2-azaspiro[4.5]decane is sourced from PubChem (CID 126827005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).