(1R,3S)-3-(2-hydroxyethoxy)-7-(5-methoxypyrimidin-2-yl)-7-azaspiro[3.5]nonan-1-ol

C15H23N3O4 — CID 72893235

IUPAC(1R,3S)-3-(2-hydroxyethoxy)-7-(5-methoxypyrimidin-2-yl)-7-azaspiro[3.5]nonan-1-ol
SMILESCOc1cnc(N2CCC3(CC2)[C@H](O)C[C@@H]3OCCO)nc1
InChIInChI=1S/C15H23N3O4/c1-21-11-9-16-14(17-10-11)18-4-2-15(3-5-18)12(20)8-13(15)22-7-6-19/h9-10,12-13,19-20H,2-8H2,1H3/t12-,13+/m1/s1
InChIKeyYZBALPYCCQINKS-OLZOCXBDSA-N
MW309.37 g/mol
LogP0.21
Rot. Bonds5

About (1R,3S)-3-(2-hydroxyethoxy)-7-(5-methoxypyrimidin-2-yl)-7-azaspiro[3.5]nonan-1-ol

(1R,3S)-3-(2-hydroxyethoxy)-7-(5-methoxypyrimidin-2-yl)-7-azaspiro[3.5]nonan-1-ol (PubChem CID 72893235) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is (1R,3S)-3-(2-hydroxyethoxy)-7-(5-methoxypyrimidin-2-yl)-7-azaspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name(1R,3S)-3-(2-hydroxyethoxy)-7-(5-methoxypyrimidin-2-yl)-7-azaspiro[3.5]nonan-1-ol
PubChem CID72893235
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name(1R,3S)-3-(2-hydroxyethoxy)-7-(5-methoxypyrimidin-2-yl)-7-azaspiro[3.5]nonan-1-ol
SMILESCOc1cnc(N2CCC3(CC2)[C@H](O)C[C@@H]3OCCO)nc1
InChIInChI=1S/C15H23N3O4/c1-21-11-9-16-14(17-10-11)18-4-2-15(3-5-18)12(20)8-13(15)22-7-6-19/h9-10,12-13,19-20H,2-8H2,1H3/t12-,13+/m1/s1
InChIKeyYZBALPYCCQINKS-OLZOCXBDSA-N
XLogP0.21
TPSA87.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1R,3S)-3-(2-hydroxyethoxy)-7-(5-methoxypyrimidin-2-yl)-7-azaspiro[3.5]nonan-1-ol?
The IUPAC name of (1R,3S)-3-(2-hydroxyethoxy)-7-(5-methoxypyrimidin-2-yl)-7-azaspiro[3.5]nonan-1-ol (CID 72893235) is (1R,3S)-3-(2-hydroxyethoxy)-7-(5-methoxypyrimidin-2-yl)-7-azaspiro[3.5]nonan-1-ol.
What is the SMILES notation for (1R,3S)-3-(2-hydroxyethoxy)-7-(5-methoxypyrimidin-2-yl)-7-azaspiro[3.5]nonan-1-ol?
The canonical SMILES for (1R,3S)-3-(2-hydroxyethoxy)-7-(5-methoxypyrimidin-2-yl)-7-azaspiro[3.5]nonan-1-ol is COc1cnc(N2CCC3(CC2)[C@H](O)C[C@@H]3OCCO)nc1.
What is the InChIKey of (1R,3S)-3-(2-hydroxyethoxy)-7-(5-methoxypyrimidin-2-yl)-7-azaspiro[3.5]nonan-1-ol?
The InChIKey is YZBALPYCCQINKS-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-21-11-9-16-14(17-10-11)18-4-2-15(3-5-18)12(20)8-13(15)22-7-6-19/h9-10,12-13,19-20H,2-8H2,1H3/t12-,13+/m1/s1.
What are the key properties of (1R,3S)-3-(2-hydroxyethoxy)-7-(5-methoxypyrimidin-2-yl)-7-azaspiro[3.5]nonan-1-ol?
(1R,3S)-3-(2-hydroxyethoxy)-7-(5-methoxypyrimidin-2-yl)-7-azaspiro[3.5]nonan-1-ol has a molecular weight of 309.37 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-3-(2-hydroxyethoxy)-7-(5-methoxypyrimidin-2-yl)-7-azaspiro[3.5]nonan-1-ol is sourced from PubChem (CID 72893235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).