2-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1-pyrrolidin-1-ylethanone

C19H28N4O2 — CID 131639011

IUPAC2-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1-pyrrolidin-1-ylethanone
SMILESCc1cnc(N2CCC3(CC2)CC(CC(=O)N2CCCC2)CO3)nc1
InChIInChI=1S/C19H28N4O2/c1-15-12-20-18(21-13-15)23-8-4-19(5-9-23)11-16(14-25-19)10-17(24)22-6-2-3-7-22/h12-13,16H,2-11,14H2,1H3
InChIKeyGXDPBYODHILWME-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.17
Rot. Bonds3

About 2-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1-pyrrolidin-1-ylethanone

2-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 131639011) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1-pyrrolidin-1-ylethanone
PubChem CID131639011
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name2-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1-pyrrolidin-1-ylethanone
SMILESCc1cnc(N2CCC3(CC2)CC(CC(=O)N2CCCC2)CO3)nc1
InChIInChI=1S/C19H28N4O2/c1-15-12-20-18(21-13-15)23-8-4-19(5-9-23)11-16(14-25-19)10-17(24)22-6-2-3-7-22/h12-13,16H,2-11,14H2,1H3
InChIKeyGXDPBYODHILWME-UHFFFAOYSA-N
XLogP2.17
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[(3S)-8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide
CID 97490595
N,N-dimethyl-8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid
CID 155840370
2-[[(3R,5S)-7-(5-fluoropyrimidin-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]-1-pyrrolidin-1-ylethanone
CID 97419976
8-(5-ethylpyrimidin-2-yl)-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155848807
2-[9-[(3-methylthiophen-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]-1-pyrrolidin-1-ylethanone
CID 91919403
(3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(5-methylpyrazin-2-yl)methanone
CID 134074893
[9-(5-methylpyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyridin-3-ylmethanone
CID 97450891
2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 51082370
ethane;5-methyl-2-pyrrolidin-1-ylpyrimidine;propane
CID 170581673
N-methyl-7-(5-methylpyrimidin-2-yl)-N-(pyridin-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine;2,2,2-trifluoroacetic acid
CID 155857780
(3R,5S)-7-(5-methylpyrimidin-2-yl)-N-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98778012
2-cyclopentyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 78768063

Frequently Asked Questions

What is the IUPAC name of 2-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1-pyrrolidin-1-ylethanone (CID 131639011) is 2-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1-pyrrolidin-1-ylethanone is Cc1cnc(N2CCC3(CC2)CC(CC(=O)N2CCCC2)CO3)nc1.
What is the InChIKey of 2-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is GXDPBYODHILWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-15-12-20-18(21-13-15)23-8-4-19(5-9-23)11-16(14-25-19)10-17(24)22-6-2-3-7-22/h12-13,16H,2-11,14H2,1H3.
What are the key properties of 2-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1-pyrrolidin-1-ylethanone?
2-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 344.46 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 131639011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).