(5S)-5-methoxy-9-pyrimidin-4-yl-1-oxa-9-azaspiro[5.5]undecane

C14H21N3O2 — CID 97193094

IUPAC(5S)-5-methoxy-9-pyrimidin-4-yl-1-oxa-9-azaspiro[5.5]undecane
SMILESCO[C@H]1CCCOC12CCN(c1ccncn1)CC2
InChIInChI=1S/C14H21N3O2/c1-18-12-3-2-10-19-14(12)5-8-17(9-6-14)13-4-7-15-11-16-13/h4,7,11-12H,2-3,5-6,8-10H2,1H3/t12-/m0/s1
InChIKeyZVXGBPIUTJXHLG-LBPRGKRZSA-N
MW263.34 g/mol
LogP1.64
Rot. Bonds2

About (5S)-5-methoxy-9-pyrimidin-4-yl-1-oxa-9-azaspiro[5.5]undecane

(5S)-5-methoxy-9-pyrimidin-4-yl-1-oxa-9-azaspiro[5.5]undecane (PubChem CID 97193094) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (5S)-5-methoxy-9-pyrimidin-4-yl-1-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name(5S)-5-methoxy-9-pyrimidin-4-yl-1-oxa-9-azaspiro[5.5]undecane
PubChem CID97193094
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(5S)-5-methoxy-9-pyrimidin-4-yl-1-oxa-9-azaspiro[5.5]undecane
SMILESCO[C@H]1CCCOC12CCN(c1ccncn1)CC2
InChIInChI=1S/C14H21N3O2/c1-18-12-3-2-10-19-14(12)5-8-17(9-6-14)13-4-7-15-11-16-13/h4,7,11-12H,2-3,5-6,8-10H2,1H3/t12-/m0/s1
InChIKeyZVXGBPIUTJXHLG-LBPRGKRZSA-N
XLogP1.64
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methoxy-9-pyrimidin-4-yl-1-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of (5S)-5-methoxy-9-pyrimidin-4-yl-1-oxa-9-azaspiro[5.5]undecane (CID 97193094) is (5S)-5-methoxy-9-pyrimidin-4-yl-1-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for (5S)-5-methoxy-9-pyrimidin-4-yl-1-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for (5S)-5-methoxy-9-pyrimidin-4-yl-1-oxa-9-azaspiro[5.5]undecane is CO[C@H]1CCCOC12CCN(c1ccncn1)CC2.
What is the InChIKey of (5S)-5-methoxy-9-pyrimidin-4-yl-1-oxa-9-azaspiro[5.5]undecane?
The InChIKey is ZVXGBPIUTJXHLG-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-18-12-3-2-10-19-14(12)5-8-17(9-6-14)13-4-7-15-11-16-13/h4,7,11-12H,2-3,5-6,8-10H2,1H3/t12-/m0/s1.
What are the key properties of (5S)-5-methoxy-9-pyrimidin-4-yl-1-oxa-9-azaspiro[5.5]undecane?
(5S)-5-methoxy-9-pyrimidin-4-yl-1-oxa-9-azaspiro[5.5]undecane has a molecular weight of 263.34 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methoxy-9-pyrimidin-4-yl-1-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 97193094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).