(2R,4R)-9-(6-methylpyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol

C20H25N3O2 — CID 154567588

IUPAC(2R,4R)-9-(6-methylpyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
SMILESCc1cc(N2CCC3(CC2)C[C@H](O)C[C@H](c2ccccc2)O3)ncn1
InChIInChI=1S/C20H25N3O2/c1-15-11-19(22-14-21-15)23-9-7-20(8-10-23)13-17(24)12-18(25-20)16-5-3-2-4-6-16/h2-6,11,14,17-18,24H,7-10,12-13H2,1H3/t17-,18-/m1/s1
InChIKeyWKLDJZPPGPMSRF-QZTJIDSGSA-N
MW339.44 g/mol
LogP3.04
Rot. Bonds2

About (2R,4R)-9-(6-methylpyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol

(2R,4R)-9-(6-methylpyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol (PubChem CID 154567588) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (2R,4R)-9-(6-methylpyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol.

Molecular Properties

Compound Name(2R,4R)-9-(6-methylpyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
PubChem CID154567588
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(2R,4R)-9-(6-methylpyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
SMILESCc1cc(N2CCC3(CC2)C[C@H](O)C[C@H](c2ccccc2)O3)ncn1
InChIInChI=1S/C20H25N3O2/c1-15-11-19(22-14-21-15)23-9-7-20(8-10-23)13-17(24)12-18(25-20)16-5-3-2-4-6-16/h2-6,11,14,17-18,24H,7-10,12-13H2,1H3/t17-,18-/m1/s1
InChIKeyWKLDJZPPGPMSRF-QZTJIDSGSA-N
XLogP3.04
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R,4S)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile
CID 154570300
(2R,4R)-9-(2-amino-5-ethylpyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 155506874
(2R,4R)-9-(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 155506554
(2R,4R)-9-(4-amino-5-fluoropyrimidin-2-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 154566317
3-(3,5-dimethylpyrazol-1-yl)-1-[(2R,4S)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one
CID 154563709
[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyridin-2-ylmethanone
CID 154566554
(2R,4R)-9-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 154563738
(2S,4S)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 141372126
(2R,4R)-9-[2-(1-methylimidazol-2-yl)ethyl]-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 154564930
2-[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]acetamide
CID 154563342
(4-hydroxy-1-methylpiperidin-4-yl)-[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 154821214
1-[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3-(1,2,4-triazol-4-yl)propan-1-one
CID 154816564

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-9-(6-methylpyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The IUPAC name of (2R,4R)-9-(6-methylpyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol (CID 154567588) is (2R,4R)-9-(6-methylpyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol.
What is the SMILES notation for (2R,4R)-9-(6-methylpyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The canonical SMILES for (2R,4R)-9-(6-methylpyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol is Cc1cc(N2CCC3(CC2)C[C@H](O)C[C@H](c2ccccc2)O3)ncn1.
What is the InChIKey of (2R,4R)-9-(6-methylpyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The InChIKey is WKLDJZPPGPMSRF-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-11-19(22-14-21-15)23-9-7-20(8-10-23)13-17(24)12-18(25-20)16-5-3-2-4-6-16/h2-6,11,14,17-18,24H,7-10,12-13H2,1H3/t17-,18-/m1/s1.
What are the key properties of (2R,4R)-9-(6-methylpyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol?
(2R,4R)-9-(6-methylpyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol has a molecular weight of 339.44 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-9-(6-methylpyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol is sourced from PubChem (CID 154567588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).