(2R,4R)-9-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol

C22H36N4O2 — CID 154567287

IUPAC(2R,4R)-9-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol
SMILESCCc1cc(N2CCC3(CC2)C[C@H](O)C[C@H](C(C)C)O3)nc(N2CCCC2)n1
InChIInChI=1S/C22H36N4O2/c1-4-17-13-20(24-21(23-17)26-9-5-6-10-26)25-11-7-22(8-12-25)15-18(27)14-19(28-22)16(2)3/h13,16,18-19,27H,4-12,14-15H2,1-3H3/t18-,19-/m1/s1
InChIKeyACRCUWGGESEHHI-RTBURBONSA-N
MW388.56 g/mol
LogP3.17
Rot. Bonds4

About (2R,4R)-9-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol

(2R,4R)-9-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol (PubChem CID 154567287) has the molecular formula C22H36N4O2 and a molecular weight of 388.56 g/mol. Its IUPAC name is (2R,4R)-9-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol.

Molecular Properties

Compound Name(2R,4R)-9-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol
PubChem CID154567287
Molecular FormulaC22H36N4O2
Molecular Weight388.56 g/mol
Exact Mass388.28
IUPAC Name(2R,4R)-9-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol
SMILESCCc1cc(N2CCC3(CC2)C[C@H](O)C[C@H](C(C)C)O3)nc(N2CCCC2)n1
InChIInChI=1S/C22H36N4O2/c1-4-17-13-20(24-21(23-17)26-9-5-6-10-26)25-11-7-22(8-12-25)15-18(27)14-19(28-22)16(2)3/h13,16,18-19,27H,4-12,14-15H2,1-3H3/t18-,19-/m1/s1
InChIKeyACRCUWGGESEHHI-RTBURBONSA-N
XLogP3.17
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R,4R)-9-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol with MolForge

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Related Compounds

(2R,4R)-9-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 154566077
(5R)-9-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 97148136
(4S,5S)-9-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)-1-oxa-9-azaspiro[5.5]undecane-4,5-diol
CID 163306327
2-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile
CID 154564780
1-[4-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-6-hydroxy-1,4-diazepan-1-yl]ethanone
CID 70762536
(2S,4R)-1-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 122565251
1-[(6R)-4-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-6-hydroxy-1,4-diazepan-1-yl]ethanone
CID 97141817
4-[4-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylmorpholine
CID 135116475
4-ethyl-6-(4-pyrimidin-2-yloxypiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 134705870
8-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 50970181
ethyl 2-[4-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]pyrimidin-5-yl]acetate
CID 155499748
4-ethyl-2-piperidin-1-yl-6-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine
CID 72850131

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-9-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The IUPAC name of (2R,4R)-9-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol (CID 154567287) is (2R,4R)-9-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol.
What is the SMILES notation for (2R,4R)-9-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The canonical SMILES for (2R,4R)-9-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol is CCc1cc(N2CCC3(CC2)C[C@H](O)C[C@H](C(C)C)O3)nc(N2CCCC2)n1.
What is the InChIKey of (2R,4R)-9-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The InChIKey is ACRCUWGGESEHHI-RTBURBONSA-N. The full InChI is InChI=1S/C22H36N4O2/c1-4-17-13-20(24-21(23-17)26-9-5-6-10-26)25-11-7-22(8-12-25)15-18(27)14-19(28-22)16(2)3/h13,16,18-19,27H,4-12,14-15H2,1-3H3/t18-,19-/m1/s1.
What are the key properties of (2R,4R)-9-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol?
(2R,4R)-9-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol has a molecular weight of 388.56 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-9-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol is sourced from PubChem (CID 154567287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).