(1R,3S)-3-methoxy-7-(6-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol

C17H26N4O3 — CID 72840438

IUPAC(1R,3S)-3-methoxy-7-(6-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol
SMILESCO[C@H]1C[C@@H](O)C12CCN(c1cc(N3CCOCC3)ncn1)CC2
InChIInChI=1S/C17H26N4O3/c1-23-14-10-13(22)17(14)2-4-20(5-3-17)15-11-16(19-12-18-15)21-6-8-24-9-7-21/h11-14,22H,2-10H2,1H3/t13-,14+/m1/s1
InChIKeyJJZUAIAFHXYHPD-KGLIPLIRSA-N
MW334.42 g/mol
LogP0.68
Rot. Bonds3

About (1R,3S)-3-methoxy-7-(6-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol

(1R,3S)-3-methoxy-7-(6-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol (PubChem CID 72840438) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is (1R,3S)-3-methoxy-7-(6-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name(1R,3S)-3-methoxy-7-(6-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol
PubChem CID72840438
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name(1R,3S)-3-methoxy-7-(6-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol
SMILESCO[C@H]1C[C@@H](O)C12CCN(c1cc(N3CCOCC3)ncn1)CC2
InChIInChI=1S/C17H26N4O3/c1-23-14-10-13(22)17(14)2-4-20(5-3-17)15-11-16(19-12-18-15)21-6-8-24-9-7-21/h11-14,22H,2-10H2,1H3/t13-,14+/m1/s1
InChIKeyJJZUAIAFHXYHPD-KGLIPLIRSA-N
XLogP0.68
TPSA70.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1R,3S)-3-methoxy-7-(6-morpholin-4-ylpyrimidin-4-yl)-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

Frequently Asked Questions

What is the IUPAC name of (1R,3S)-3-methoxy-7-(6-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol?
The IUPAC name of (1R,3S)-3-methoxy-7-(6-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol (CID 72840438) is (1R,3S)-3-methoxy-7-(6-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol.
What is the SMILES notation for (1R,3S)-3-methoxy-7-(6-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol?
The canonical SMILES for (1R,3S)-3-methoxy-7-(6-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol is CO[C@H]1C[C@@H](O)C12CCN(c1cc(N3CCOCC3)ncn1)CC2.
What is the InChIKey of (1R,3S)-3-methoxy-7-(6-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol?
The InChIKey is JJZUAIAFHXYHPD-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-23-14-10-13(22)17(14)2-4-20(5-3-17)15-11-16(19-12-18-15)21-6-8-24-9-7-21/h11-14,22H,2-10H2,1H3/t13-,14+/m1/s1.
What are the key properties of (1R,3S)-3-methoxy-7-(6-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol?
(1R,3S)-3-methoxy-7-(6-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol has a molecular weight of 334.42 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-3-methoxy-7-(6-morpholin-4-ylpyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol is sourced from PubChem (CID 72840438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).