8-(5-ethylpyrimidin-2-yl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine

C16H26N4O — CID 131649217

IUPAC8-(5-ethylpyrimidin-2-yl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCCc1cnc(N2CCC3(CC2)CC(N(C)C)CO3)nc1
InChIInChI=1S/C16H26N4O/c1-4-13-10-17-15(18-11-13)20-7-5-16(6-8-20)9-14(12-21-16)19(2)3/h10-11,14H,4-9,12H2,1-3H3
InChIKeyGPPSFQGNZXONED-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.73
Rot. Bonds3

About 8-(5-ethylpyrimidin-2-yl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine

8-(5-ethylpyrimidin-2-yl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 131649217) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 8-(5-ethylpyrimidin-2-yl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound Name8-(5-ethylpyrimidin-2-yl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID131649217
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name8-(5-ethylpyrimidin-2-yl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCCc1cnc(N2CCC3(CC2)CC(N(C)C)CO3)nc1
InChIInChI=1S/C16H26N4O/c1-4-13-10-17-15(18-11-13)20-7-5-16(6-8-20)9-14(12-21-16)19(2)3/h10-11,14H,4-9,12H2,1-3H3
InChIKeyGPPSFQGNZXONED-UHFFFAOYSA-N
XLogP1.73
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid
CID 155840370
8-(5-ethylpyrimidin-2-yl)-N-(furan-2-ylmethyl)-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid
CID 155840163
8-(5-ethylpyrimidin-2-yl)-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 131659289
8-(5-ethylpyrimidin-2-yl)-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155848807
(3R,5S)-7-(5-ethylpyrimidin-2-yl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98818265
(3S,5S)-7-(5-ethylpyrimidin-2-yl)-3-imidazol-1-yl-1-oxa-7-azaspiro[4.4]nonane
CID 124521791
(3R,5R)-7-(5-ethylpyrimidin-2-yl)-3-imidazol-1-yl-1-oxa-7-azaspiro[4.4]nonane
CID 98778045
N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-methylacetamide
CID 154582448
7-(5-ethylpyrimidin-2-yl)-2-methoxy-7-azaspiro[3.5]nonane
CID 97451274
1-(5-ethylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol
CID 56755831
(3S,5R)-7-(5-ethylpyrimidin-2-yl)-N-(3-fluoro-2-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 124521736
(3R)-N,N-dimethyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97490567

Frequently Asked Questions

What is the IUPAC name of 8-(5-ethylpyrimidin-2-yl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of 8-(5-ethylpyrimidin-2-yl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 131649217) is 8-(5-ethylpyrimidin-2-yl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for 8-(5-ethylpyrimidin-2-yl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for 8-(5-ethylpyrimidin-2-yl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine is CCc1cnc(N2CCC3(CC2)CC(N(C)C)CO3)nc1.
What is the InChIKey of 8-(5-ethylpyrimidin-2-yl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is GPPSFQGNZXONED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-4-13-10-17-15(18-11-13)20-7-5-16(6-8-20)9-14(12-21-16)19(2)3/h10-11,14H,4-9,12H2,1-3H3.
What are the key properties of 8-(5-ethylpyrimidin-2-yl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
8-(5-ethylpyrimidin-2-yl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 290.41 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-ethylpyrimidin-2-yl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 131649217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).