(4,5-dimethylthiophen-2-yl)-(8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone

C18H21N3O3S — CID 131661343

About (4,5-dimethylthiophen-2-yl)-(8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone

(4,5-dimethylthiophen-2-yl)-(8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone (PubChem CID 131661343) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is (4,5-dimethylthiophen-2-yl)-(8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone.

Molecular Properties

• Compound Name: (4,5-dimethylthiophen-2-yl)-(8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
• PubChem CID: 131661343
• Molecular Formula: C18H21N3O3S
• Molecular Weight: 359.45 g/mol
• Exact Mass: 359.13
• IUPAC Name: (4,5-dimethylthiophen-2-yl)-(8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
• SMILES: Cc1cc(C(=O)N2CC3(CC(Oc4ncccn4)CCO3)C2)sc1C
• InChI: InChI=1S/C18H21N3O3S/c1-12-8-15(25-13(12)2)16(22)21-10-18(11-21)9-14(4-7-23-18)24-17-19-5-3-6-20-17/h3,5-6,8,14H,4,7,9-11H2,1-2H3
• InChIKey: FVZJBGXAZRITIB-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 64.55 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.45
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethylthiophen-2-yl)-(8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone?

The IUPAC name of (4,5-dimethylthiophen-2-yl)-(8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone (CID 131661343) is (4,5-dimethylthiophen-2-yl)-(8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone.

What is the SMILES notation for (4,5-dimethylthiophen-2-yl)-(8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone?

The canonical SMILES for (4,5-dimethylthiophen-2-yl)-(8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone is Cc1cc(C(=O)N2CC3(CC(Oc4ncccn4)CCO3)C2)sc1C.

What is the InChIKey of (4,5-dimethylthiophen-2-yl)-(8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone?

The InChIKey is FVZJBGXAZRITIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-12-8-15(25-13(12)2)16(22)21-10-18(11-21)9-14(4-7-23-18)24-17-19-5-3-6-20-17/h3,5-6,8,14H,4,7,9-11H2,1-2H3.

What are the key properties of (4,5-dimethylthiophen-2-yl)-(8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone?

(4,5-dimethylthiophen-2-yl)-(8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone has a molecular weight of 359.45 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4,5-dimethylthiophen-2-yl)-(8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone is sourced from PubChem (CID 131661343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).