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

C14H20BrN3O2 — CID 97216261

IUPAC(1S,3R)-7-(5-bromopyrimidin-2-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
SMILESCCO[C@@H]1C[C@H](O)C12CCN(c1ncc(Br)cn1)CC2
InChIInChI=1S/C14H20BrN3O2/c1-2-20-12-7-11(19)14(12)3-5-18(6-4-14)13-16-8-10(15)9-17-13/h8-9,11-12,19H,2-7H2,1H3/t11-,12+/m0/s1
InChIKeyZZWRBMDIBPPRQP-NWDGAFQWSA-N
MW342.24 g/mol
LogP2.00
Rot. Bonds3

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

(1S,3R)-7-(5-bromopyrimidin-2-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol (PubChem CID 97216261) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is (1S,3R)-7-(5-bromopyrimidin-2-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name(1S,3R)-7-(5-bromopyrimidin-2-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
PubChem CID97216261
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name(1S,3R)-7-(5-bromopyrimidin-2-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
SMILESCCO[C@@H]1C[C@H](O)C12CCN(c1ncc(Br)cn1)CC2
InChIInChI=1S/C14H20BrN3O2/c1-2-20-12-7-11(19)14(12)3-5-18(6-4-14)13-16-8-10(15)9-17-13/h8-9,11-12,19H,2-7H2,1H3/t11-,12+/m0/s1
InChIKeyZZWRBMDIBPPRQP-NWDGAFQWSA-N
XLogP2.00
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S,3R)-7-(5-bromopyrimidin-2-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,3S)-3-ethoxy-7-(6-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol
CID 124736554
(1S,3S)-3-ethoxy-7-(6-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol
CID 124736555
4-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)benzonitrile
CID 86777838
(1S,3S)-7-[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 100671858
(1S,3S)-3-ethoxy-7-(6-propan-2-yloxypyrazin-2-yl)-7-azaspiro[3.5]nonan-1-ol
CID 99610577
(1R,3S)-3-ethoxy-7-(7H-purin-6-yl)-7-azaspiro[3.5]nonan-1-ol
CID 97216316
(1R,3S)-7-[6-chloro-5-(methylamino)pyrimidin-4-yl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 99638716
(1S,3R)-3-ethoxy-7-(6-methylquinazolin-4-yl)-7-azaspiro[3.5]nonan-1-ol
CID 97100878
3-ethoxy-7-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-7-azaspiro[3.5]nonan-1-ol
CID 167859325
3-ethoxy-7-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol
CID 133403099
3-ethoxy-7-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-7-azaspiro[3.5]nonan-1-ol
CID 110009097
3-ethoxy-7-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-7-azaspiro[3.5]nonan-1-ol
CID 71929931

Frequently Asked Questions

What is the IUPAC name of (1S,3R)-7-(5-bromopyrimidin-2-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol?
The IUPAC name of (1S,3R)-7-(5-bromopyrimidin-2-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol (CID 97216261) is (1S,3R)-7-(5-bromopyrimidin-2-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol.
What is the SMILES notation for (1S,3R)-7-(5-bromopyrimidin-2-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol?
The canonical SMILES for (1S,3R)-7-(5-bromopyrimidin-2-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol is CCO[C@@H]1C[C@H](O)C12CCN(c1ncc(Br)cn1)CC2.
What is the InChIKey of (1S,3R)-7-(5-bromopyrimidin-2-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol?
The InChIKey is ZZWRBMDIBPPRQP-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-2-20-12-7-11(19)14(12)3-5-18(6-4-14)13-16-8-10(15)9-17-13/h8-9,11-12,19H,2-7H2,1H3/t11-,12+/m0/s1.
What are the key properties of (1S,3R)-7-(5-bromopyrimidin-2-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol?
(1S,3R)-7-(5-bromopyrimidin-2-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol has a molecular weight of 342.24 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R)-7-(5-bromopyrimidin-2-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol is sourced from PubChem (CID 97216261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).