6-(4-ethylpyrimidin-2-yl)-1-oxa-6-azaspiro[3.3]heptane

C11H15N3O — CID 163847477

IUPAC6-(4-ethylpyrimidin-2-yl)-1-oxa-6-azaspiro[3.3]heptane
SMILESCCc1ccnc(N2CC3(CCO3)C2)n1
InChIInChI=1S/C11H15N3O/c1-2-9-3-5-12-10(13-9)14-7-11(8-14)4-6-15-11/h3,5H,2,4,6-8H2,1H3
InChIKeyORKUVDCICFBEMV-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.02
Rot. Bonds2

About 6-(4-ethylpyrimidin-2-yl)-1-oxa-6-azaspiro[3.3]heptane

6-(4-ethylpyrimidin-2-yl)-1-oxa-6-azaspiro[3.3]heptane (PubChem CID 163847477) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 6-(4-ethylpyrimidin-2-yl)-1-oxa-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-(4-ethylpyrimidin-2-yl)-1-oxa-6-azaspiro[3.3]heptane
PubChem CID163847477
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name6-(4-ethylpyrimidin-2-yl)-1-oxa-6-azaspiro[3.3]heptane
SMILESCCc1ccnc(N2CC3(CCO3)C2)n1
InChIInChI=1S/C11H15N3O/c1-2-9-3-5-12-10(13-9)14-7-11(8-14)4-6-15-11/h3,5H,2,4,6-8H2,1H3
InChIKeyORKUVDCICFBEMV-UHFFFAOYSA-N
XLogP1.02
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-pyrimidin-2-yl-1-oxa-6-azaspiro[3.3]heptane
CID 130685819
1-[4-(4-ethylpyrimidin-2-yl)piperazin-1-yl]ethanone
CID 138460359
9-(4-methylpyrimidin-2-yl)-6-oxa-9-azaspiro[4.5]decane
CID 71916042
7-[4-[[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]methyl]pyrimidin-2-yl]-1-oxa-7-azaspiro[3.5]nonane
CID 176625711
9-methyl-4-(4-methylpyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138378631
4-[4-[(dimethylsulfamoylamino)methyl]pyrimidin-2-yl]morpholine
CID 122353348
(6R)-4-(5-ethylpyrimidin-2-yl)-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492146
2-[4-(methoxymethyl)pyrimidin-2-yl]-6-methyl-2,6-diazaspiro[3.3]heptane
CID 176625990
1-[1-(4-ethylpyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 156651528
(6S)-4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 95444971
4-[4-(chloromethyl)pyrimidin-2-yl]morpholine
CID 62747047
4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane;dihydrochloride
CID 154885290

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpyrimidin-2-yl)-1-oxa-6-azaspiro[3.3]heptane?
The IUPAC name of 6-(4-ethylpyrimidin-2-yl)-1-oxa-6-azaspiro[3.3]heptane (CID 163847477) is 6-(4-ethylpyrimidin-2-yl)-1-oxa-6-azaspiro[3.3]heptane.
What is the SMILES notation for 6-(4-ethylpyrimidin-2-yl)-1-oxa-6-azaspiro[3.3]heptane?
The canonical SMILES for 6-(4-ethylpyrimidin-2-yl)-1-oxa-6-azaspiro[3.3]heptane is CCc1ccnc(N2CC3(CCO3)C2)n1.
What is the InChIKey of 6-(4-ethylpyrimidin-2-yl)-1-oxa-6-azaspiro[3.3]heptane?
The InChIKey is ORKUVDCICFBEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-2-9-3-5-12-10(13-9)14-7-11(8-14)4-6-15-11/h3,5H,2,4,6-8H2,1H3.
What are the key properties of 6-(4-ethylpyrimidin-2-yl)-1-oxa-6-azaspiro[3.3]heptane?
6-(4-ethylpyrimidin-2-yl)-1-oxa-6-azaspiro[3.3]heptane has a molecular weight of 205.26 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpyrimidin-2-yl)-1-oxa-6-azaspiro[3.3]heptane is sourced from PubChem (CID 163847477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).