[(2S)-oxolan-2-yl]-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone

C18H26N4O3 — CID 97398115

IUPAC[(2S)-oxolan-2-yl]-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1CCC[C@@]2(COCCN(c3ncccn3)C2)C1
InChIInChI=1S/C18H26N4O3/c23-16(15-4-1-10-25-15)21-8-2-5-18(12-21)13-22(9-11-24-14-18)17-19-6-3-7-20-17/h3,6-7,15H,1-2,4-5,8-14H2/t15-,18+/m0/s1
InChIKeyLLCMZMWIWGXGEU-MAUKXSAKSA-N
MW346.43 g/mol
LogP1.10
Rot. Bonds2

About [(2S)-oxolan-2-yl]-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone

[(2S)-oxolan-2-yl]-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone (PubChem CID 97398115) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is [(2S)-oxolan-2-yl]-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone.

Molecular Properties

Compound Name[(2S)-oxolan-2-yl]-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
PubChem CID97398115
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name[(2S)-oxolan-2-yl]-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1CCC[C@@]2(COCCN(c3ncccn3)C2)C1
InChIInChI=1S/C18H26N4O3/c23-16(15-4-1-10-25-15)21-8-2-5-18(12-21)13-22(9-11-24-14-18)17-19-6-3-7-20-17/h3,6-7,15H,1-2,4-5,8-14H2/t15-,18+/m0/s1
InChIKeyLLCMZMWIWGXGEU-MAUKXSAKSA-N
XLogP1.10
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

cyclopentyl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 134074141
[(2R)-oxolan-2-yl]-[(6S)-11-phenyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 97494631
1-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]propan-1-one
CID 97398116
pyridin-3-yl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 134072843
[(6R)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-[(2S)-oxolan-2-yl]methanone
CID 97494457
pyridazin-4-yl-[(5S)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
CID 97385043
3H-benzimidazol-5-yl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 131654404
3H-benzimidazol-5-yl-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 97398087
[(2R)-oxolan-2-yl]-[(6R)-11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 124822752
3-pyridin-3-yl-1-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]propan-1-one
CID 97398096
(5S)-2,10-di(pyrimidin-2-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97385039
(5-methyl-1H-pyrazol-3-yl)-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 97494780

Frequently Asked Questions

What is the IUPAC name of [(2S)-oxolan-2-yl]-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?
The IUPAC name of [(2S)-oxolan-2-yl]-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone (CID 97398115) is [(2S)-oxolan-2-yl]-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone.
What is the SMILES notation for [(2S)-oxolan-2-yl]-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?
The canonical SMILES for [(2S)-oxolan-2-yl]-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone is O=C([C@@H]1CCCO1)N1CCC[C@@]2(COCCN(c3ncccn3)C2)C1.
What is the InChIKey of [(2S)-oxolan-2-yl]-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?
The InChIKey is LLCMZMWIWGXGEU-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H26N4O3/c23-16(15-4-1-10-25-15)21-8-2-5-18(12-21)13-22(9-11-24-14-18)17-19-6-3-7-20-17/h3,6-7,15H,1-2,4-5,8-14H2/t15-,18+/m0/s1.
What are the key properties of [(2S)-oxolan-2-yl]-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?
[(2S)-oxolan-2-yl]-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone has a molecular weight of 346.43 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-oxolan-2-yl]-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone is sourced from PubChem (CID 97398115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).