N-[2-[(8S)-2-(furan-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-5-methylpyrimidin-2-amine

C18H24N4O2 — CID 124912819

About N-[2-[(8S)-2-(furan-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-5-methylpyrimidin-2-amine

N-[2-[(8S)-2-(furan-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-5-methylpyrimidin-2-amine (PubChem CID 124912819) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[2-[(8S)-2-(furan-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-5-methylpyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[2-[(8S)-2-(furan-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-5-methylpyrimidin-2-amine
• PubChem CID: 124912819
• Molecular Formula: C18H24N4O2
• Molecular Weight: 328.42 g/mol
• Exact Mass: 328.19
• IUPAC Name: N-[2-[(8S)-2-(furan-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-5-methylpyrimidin-2-amine
• SMILES: Cc1cnc(NCC[C@H]2CCOC23CN(Cc2ccoc2)C3)nc1
• InChI: InChI=1S/C18H24N4O2/c1-14-8-20-17(21-9-14)19-5-2-16-4-7-24-18(16)12-22(13-18)10-15-3-6-23-11-15/h3,6,8-9,11,16H,2,4-5,7,10,12-13H2,1H3,(H,19,20,21)/t16-/m0/s1
• InChIKey: ILKPUWJVUQGCNP-INIZCTEOSA-N
• XLogP: 2.47
• TPSA: 63.42 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	328.42
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[2-[(8S)-2-(furan-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-5-methylpyrimidin-2-amine (CID 124912819) is N-[2-[(8S)-2-(furan-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-5-methylpyrimidin-2-amine.

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

The canonical SMILES for N-[2-[(8S)-2-(furan-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-5-methylpyrimidin-2-amine is Cc1cnc(NCC[C@H]2CCOC23CN(Cc2ccoc2)C3)nc1.

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

The InChIKey is ILKPUWJVUQGCNP-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14-8-20-17(21-9-14)19-5-2-16-4-7-24-18(16)12-22(13-18)10-15-3-6-23-11-15/h3,6,8-9,11,16H,2,4-5,7,10,12-13H2,1H3,(H,19,20,21)/t16-/m0/s1.

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

N-[2-[(8S)-2-(furan-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-5-methylpyrimidin-2-amine has a molecular weight of 328.42 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(8S)-2-(furan-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-5-methylpyrimidin-2-amine is sourced from PubChem (CID 124912819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).