5-butan-2-yl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

C18H26N4O2 — CID 139525837

IUPAC5-butan-2-yl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCCC(C)c1c[nH]c2nc(N3CCC4(CCOC4)CC3)[nH]c(=O)c12
InChIInChI=1S/C18H26N4O2/c1-3-12(2)13-10-19-15-14(13)16(23)21-17(20-15)22-7-4-18(5-8-22)6-9-24-11-18/h10,12H,3-9,11H2,1-2H3,(H2,19,20,21,23)
InChIKeyFNGRVYPIYCICRT-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.77
Rot. Bonds3

About 5-butan-2-yl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

5-butan-2-yl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 139525837) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 5-butan-2-yl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID139525837
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name5-butan-2-yl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCCC(C)c1c[nH]c2nc(N3CCC4(CCOC4)CC3)[nH]c(=O)c12
InChIInChI=1S/C18H26N4O2/c1-3-12(2)13-10-19-15-14(13)16(23)21-17(20-15)22-7-4-18(5-8-22)6-9-24-11-18/h10,12H,3-9,11H2,1-2H3,(H2,19,20,21,23)
InChIKeyFNGRVYPIYCICRT-UHFFFAOYSA-N
XLogP2.77
TPSA74.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-butan-2-yl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

ethane;6-ethyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one
CID 156711718
5-(3-chloro-2-methoxy-4-pyridinyl)-3-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-one;ethane
CID 145209918
2-(2-azaspiro[3.4]octan-2-yl)-5-butan-2-yl-1H-pyrimidin-6-one
CID 156711711
6-amino-3,5-dimethyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one
CID 145210095
2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenoxy)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 139509584
3-chloro-N-methyl-4-[7-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-12-yl]pyridin-2-amine
CID 166973980
7-(6-ethyl-2-methylpyrimidin-4-yl)-2-oxa-7-azaspiro[4.4]nonane
CID 133472365
7-butan-2-yl-2-oxa-7-azaspiro[4.4]nonane
CID 130621433
4-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 177211836
3-chloro-4-[5-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-1H-pyridin-2-one
CID 145210194
7-(4,6-dimethylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.4]nonane
CID 71971617
7-(5-tert-butyl-2-propan-2-ylphenyl)-2-oxa-7-azaspiro[4.4]nonane
CID 176746561

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-butan-2-yl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 139525837) is 5-butan-2-yl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-butan-2-yl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-butan-2-yl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is CCC(C)c1c[nH]c2nc(N3CCC4(CCOC4)CC3)[nH]c(=O)c12.
What is the InChIKey of 5-butan-2-yl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is FNGRVYPIYCICRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-3-12(2)13-10-19-15-14(13)16(23)21-17(20-15)22-7-4-18(5-8-22)6-9-24-11-18/h10,12H,3-9,11H2,1-2H3,(H2,19,20,21,23).
What are the key properties of 5-butan-2-yl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
5-butan-2-yl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 330.43 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 139525837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).