(9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecan-3-yl)-pyrrolidin-1-ylmethanone

C18H26N4O2 — CID 118739174

IUPAC(9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecan-3-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCC2(CCN(c3ncccn3)CC2)CO1)N1CCCC1
InChIInChI=1S/C18H26N4O2/c23-16(21-10-1-2-11-21)15-4-5-18(14-24-15)6-12-22(13-7-18)17-19-8-3-9-20-17/h3,8-9,15H,1-2,4-7,10-14H2
InChIKeyTYTHZBPHQBKDPD-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.86
Rot. Bonds2

About (9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecan-3-yl)-pyrrolidin-1-ylmethanone

(9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecan-3-yl)-pyrrolidin-1-ylmethanone (PubChem CID 118739174) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecan-3-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecan-3-yl)-pyrrolidin-1-ylmethanone
PubChem CID118739174
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name(9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecan-3-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCC2(CCN(c3ncccn3)CC2)CO1)N1CCCC1
InChIInChI=1S/C18H26N4O2/c23-16(21-10-1-2-11-21)15-4-5-18(14-24-15)6-12-22(13-7-18)17-19-8-3-9-20-17/h3,8-9,15H,1-2,4-7,10-14H2
InChIKeyTYTHZBPHQBKDPD-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecan-3-yl)-pyrrolidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Oxolan-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2932528
6-Hydroxybuspirone, (6S)-
CID 11406958
6-Hydroxybuspirone
CID 9930913
2-Methoxy-1-(2-(pyrimidin-2-yl)-2,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 3234225
2-Methoxy-1-(9-(pyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-3-yl)ethanone
CID 3235149
2-methoxy-1-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 3235433
9-(5-Fluoro-2-pyrimidinyl)-2-(tetrahydro-2-furanylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72851568
(3aR,5R,7aR)-N-(1-methylpiperidin-4-yl)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 97364953
[(3aR,5S,7aR)-1-pyrimidin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-(oxazinan-2-yl)methanone
CID 97387774
2-(2-Methoxyethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one
CID 97449740
[(3aR,5S,7aR)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 97461427
[(3aR,5R,7aR)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-(oxazinan-2-yl)methanone
CID 97461764

Frequently Asked Questions

What is the IUPAC name of (9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecan-3-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecan-3-yl)-pyrrolidin-1-ylmethanone (CID 118739174) is (9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecan-3-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecan-3-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecan-3-yl)-pyrrolidin-1-ylmethanone is O=C(C1CCC2(CCN(c3ncccn3)CC2)CO1)N1CCCC1.
What is the InChIKey of (9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecan-3-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is TYTHZBPHQBKDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c23-16(21-10-1-2-11-21)15-4-5-18(14-24-15)6-12-22(13-7-18)17-19-8-3-9-20-17/h3,8-9,15H,1-2,4-7,10-14H2.
What are the key properties of (9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecan-3-yl)-pyrrolidin-1-ylmethanone?
(9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecan-3-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 330.43 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecan-3-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 118739174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).