oxolan-3-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone

C18H26N4O2 — CID 131641140

IUPACoxolan-3-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
SMILESO=C(C1CCOC1)N1CCC2(CC1)CCN(c1ncccn1)CC2
InChIInChI=1S/C18H26N4O2/c23-16(15-2-13-24-14-15)21-9-3-18(4-10-21)5-11-22(12-6-18)17-19-7-1-8-20-17/h1,7-8,15H,2-6,9-14H2
InChIKeyBNPGSORARISSAQ-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.72
Rot. Bonds2

About oxolan-3-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone

oxolan-3-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone (PubChem CID 131641140) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is oxolan-3-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone.

Molecular Properties

Compound Nameoxolan-3-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
PubChem CID131641140
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Nameoxolan-3-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
SMILESO=C(C1CCOC1)N1CCC2(CC1)CCN(c1ncccn1)CC2
InChIInChI=1S/C18H26N4O2/c23-16(15-2-13-24-14-15)21-9-3-18(4-10-21)5-11-22(12-6-18)17-19-7-1-8-20-17/h1,7-8,15H,2-6,9-14H2
InChIKeyBNPGSORARISSAQ-UHFFFAOYSA-N
XLogP1.72
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

oxan-4-yl-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone
CID 97370007
oxolan-3-yl-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 134077446
oxolan-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854828
[(3R)-oxolan-3-yl]-[4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97450798
[(3S)-oxolan-3-yl]-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97450456
[(3R)-oxolan-3-yl]-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97449429
morpholin-4-yl-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 97449674
[(3aS,6aS)-2-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(oxan-4-yl)methanone
CID 97377128
8-[(3R)-oxolan-3-yl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 97449517
5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(oxolan-3-yl)methanone
CID 121184532
[4-(1-methylimidazol-2-yl)piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 129470938
(1-methylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110855027

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone?
The IUPAC name of oxolan-3-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone (CID 131641140) is oxolan-3-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone.
What is the SMILES notation for oxolan-3-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone?
The canonical SMILES for oxolan-3-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone is O=C(C1CCOC1)N1CCC2(CC1)CCN(c1ncccn1)CC2.
What is the InChIKey of oxolan-3-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone?
The InChIKey is BNPGSORARISSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c23-16(15-2-13-24-14-15)21-9-3-18(4-10-21)5-11-22(12-6-18)17-19-7-1-8-20-17/h1,7-8,15H,2-6,9-14H2.
What are the key properties of oxolan-3-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone?
oxolan-3-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone has a molecular weight of 330.43 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone is sourced from PubChem (CID 131641140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).