N,N-dimethyl-6-[(8R)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-amine

C19H26N6O2 — CID 124813858

About N,N-dimethyl-6-[(8R)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-amine

N,N-dimethyl-6-[(8R)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-amine (PubChem CID 124813858) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N,N-dimethyl-6-[(8R)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N,N-dimethyl-6-[(8R)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-amine
• PubChem CID: 124813858
• Molecular Formula: C19H26N6O2
• Molecular Weight: 370.46 g/mol
• Exact Mass: 370.21
• IUPAC Name: N,N-dimethyl-6-[(8R)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-amine
• SMILES: CN(C)c1cc(N2CC3(C[C@@H](CCOc4ncccn4)CCO3)C2)ncn1
• InChI: InChI=1S/C19H26N6O2/c1-24(2)16-10-17(23-14-22-16)25-12-19(13-25)11-15(5-9-27-19)4-8-26-18-20-6-3-7-21-18/h3,6-7,10,14-15H,4-5,8-9,11-13H2,1-2H3/t15-/m0/s1
• InChIKey: DEPICWDDEBIUPC-HNNXBMFYSA-N
• XLogP: 1.79
• TPSA: 76.50 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.46
LogP ≤ 5	1.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[(8R)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-amine?

The IUPAC name of N,N-dimethyl-6-[(8R)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-amine (CID 124813858) is N,N-dimethyl-6-[(8R)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-amine.

What is the SMILES notation for N,N-dimethyl-6-[(8R)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-amine?

The canonical SMILES for N,N-dimethyl-6-[(8R)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-amine is CN(C)c1cc(N2CC3(C[C@@H](CCOc4ncccn4)CCO3)C2)ncn1.

What is the InChIKey of N,N-dimethyl-6-[(8R)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-amine?

The InChIKey is DEPICWDDEBIUPC-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-24(2)16-10-17(23-14-22-16)25-12-19(13-25)11-15(5-9-27-19)4-8-26-18-20-6-3-7-21-18/h3,6-7,10,14-15H,4-5,8-9,11-13H2,1-2H3/t15-/m0/s1.

What are the key properties of N,N-dimethyl-6-[(8R)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-amine?

N,N-dimethyl-6-[(8R)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-amine has a molecular weight of 370.46 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-6-[(8R)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 124813858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).