[2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone

C20H26N4O3 — CID 133140386

IUPAC[2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone
SMILESCOCC1CN(Cc2ccco2)CC12CCN(C(=O)c1ncccn1)CC2
InChIInChI=1S/C20H26N4O3/c1-26-14-16-12-23(13-17-4-2-11-27-17)15-20(16)5-9-24(10-6-20)19(25)18-21-7-3-8-22-18/h2-4,7-8,11,16H,5-6,9-10,12-15H2,1H3
InChIKeySEKDGPUGFWIKPR-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.07
Rot. Bonds5

About [2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone

[2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone (PubChem CID 133140386) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is [2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name[2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone
PubChem CID133140386
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name[2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone
SMILESCOCC1CN(Cc2ccco2)CC12CCN(C(=O)c1ncccn1)CC2
InChIInChI=1S/C20H26N4O3/c1-26-14-16-12-23(13-17-4-2-11-27-17)15-20(16)5-9-24(10-6-20)19(25)18-21-7-3-8-22-18/h2-4,7-8,11,16H,5-6,9-10,12-15H2,1H3
InChIKeySEKDGPUGFWIKPR-UHFFFAOYSA-N
XLogP2.07
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone
CID 131654504
[4-(methoxymethyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone
CID 131658294
(4R)-8-[(4-fluorophenyl)methyl]-2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
CID 124795333
3-[[2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-5-methyl-1,2-oxazole;bis(2,2,2-trifluoroacetic acid)
CID 155840175
8-(furan-2-ylmethyl)-4-(methoxymethyl)-2-(oxan-4-ylmethyl)-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155859618
2-cyclopropyl-1-[4-(methoxymethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 131676762
[4-(methoxymethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-oxazol-4-yl)methanone
CID 131648230
furan-2-yl-[4-(methoxymethyl)-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 171693857
2-methoxy-1-[4-(methoxymethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 133135692
1-[(4R)-4-(methoxymethyl)-8-(2-methoxypyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 124800786
[2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(furan-2-yl)methanone
CID 91924984
2-(dimethylamino)-1-[4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 131678281

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone?
The IUPAC name of [2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone (CID 133140386) is [2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone.
What is the SMILES notation for [2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone?
The canonical SMILES for [2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone is COCC1CN(Cc2ccco2)CC12CCN(C(=O)c1ncccn1)CC2.
What is the InChIKey of [2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone?
The InChIKey is SEKDGPUGFWIKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-26-14-16-12-23(13-17-4-2-11-27-17)15-20(16)5-9-24(10-6-20)19(25)18-21-7-3-8-22-18/h2-4,7-8,11,16H,5-6,9-10,12-15H2,1H3.
What are the key properties of [2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone?
[2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone has a molecular weight of 370.45 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone is sourced from PubChem (CID 133140386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).