5-methyl-N-[2-[2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine

C18H24N4OS — CID 131658800

About 5-methyl-N-[2-[2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine

5-methyl-N-[2-[2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine (PubChem CID 131658800) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 5-methyl-N-[2-[2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-methyl-N-[2-[2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine
• PubChem CID: 131658800
• Molecular Formula: C18H24N4OS
• Molecular Weight: 344.48 g/mol
• Exact Mass: 344.17
• IUPAC Name: 5-methyl-N-[2-[2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine
• SMILES: Cc1cnc(NCCC2CCOC23CN(Cc2ccsc2)C3)nc1
• InChI: InChI=1S/C18H24N4OS/c1-14-8-20-17(21-9-14)19-5-2-16-3-6-23-18(16)12-22(13-18)10-15-4-7-24-11-15/h4,7-9,11,16H,2-3,5-6,10,12-13H2,1H3,(H,19,20,21)
• InChIKey: DPKZFZTWPKUYTH-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 50.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.48
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-[2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine?

The IUPAC name of 5-methyl-N-[2-[2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine (CID 131658800) is 5-methyl-N-[2-[2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine.

What is the SMILES notation for 5-methyl-N-[2-[2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine?

The canonical SMILES for 5-methyl-N-[2-[2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine is Cc1cnc(NCCC2CCOC23CN(Cc2ccsc2)C3)nc1.

What is the InChIKey of 5-methyl-N-[2-[2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine?

The InChIKey is DPKZFZTWPKUYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-14-8-20-17(21-9-14)19-5-2-16-3-6-23-18(16)12-22(13-18)10-15-4-7-24-11-15/h4,7-9,11,16H,2-3,5-6,10,12-13H2,1H3,(H,19,20,21).

What are the key properties of 5-methyl-N-[2-[2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine?

5-methyl-N-[2-[2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine has a molecular weight of 344.48 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[2-[2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine is sourced from PubChem (CID 131658800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).