(3S)-N-(furan-2-ylmethyl)-8-(6-methoxypyrimidin-4-yl)-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine

C19H26N4O3 — CID 97450633

About (3S)-N-(furan-2-ylmethyl)-8-(6-methoxypyrimidin-4-yl)-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine

(3S)-N-(furan-2-ylmethyl)-8-(6-methoxypyrimidin-4-yl)-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 97450633) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is (3S)-N-(furan-2-ylmethyl)-8-(6-methoxypyrimidin-4-yl)-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

• Compound Name: (3S)-N-(furan-2-ylmethyl)-8-(6-methoxypyrimidin-4-yl)-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine
• PubChem CID: 97450633
• Molecular Formula: C19H26N4O3
• Molecular Weight: 358.44 g/mol
• Exact Mass: 358.20
• IUPAC Name: (3S)-N-(furan-2-ylmethyl)-8-(6-methoxypyrimidin-4-yl)-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine
• SMILES: COc1cc(N2CCC3(CC2)C[C@H](N(C)Cc2ccco2)CO3)ncn1
• InChI: InChI=1S/C19H26N4O3/c1-22(12-16-4-3-9-25-16)15-11-19(26-13-15)5-7-23(8-6-19)17-10-18(24-2)21-14-20-17/h3-4,9-10,14-15H,5-8,11-13H2,1-2H3/t15-/m0/s1
• InChIKey: ARFCDTNUGSJCKX-HNNXBMFYSA-N
• XLogP: 2.34
• TPSA: 63.86 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.44
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(furan-2-ylmethyl)-8-(6-methoxypyrimidin-4-yl)-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine?

The IUPAC name of (3S)-N-(furan-2-ylmethyl)-8-(6-methoxypyrimidin-4-yl)-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 97450633) is (3S)-N-(furan-2-ylmethyl)-8-(6-methoxypyrimidin-4-yl)-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine.

What is the SMILES notation for (3S)-N-(furan-2-ylmethyl)-8-(6-methoxypyrimidin-4-yl)-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine?

The canonical SMILES for (3S)-N-(furan-2-ylmethyl)-8-(6-methoxypyrimidin-4-yl)-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine is COc1cc(N2CCC3(CC2)C[C@H](N(C)Cc2ccco2)CO3)ncn1.

What is the InChIKey of (3S)-N-(furan-2-ylmethyl)-8-(6-methoxypyrimidin-4-yl)-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine?

The InChIKey is ARFCDTNUGSJCKX-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-22(12-16-4-3-9-25-16)15-11-19(26-13-15)5-7-23(8-6-19)17-10-18(24-2)21-14-20-17/h3-4,9-10,14-15H,5-8,11-13H2,1-2H3/t15-/m0/s1.

What are the key properties of (3S)-N-(furan-2-ylmethyl)-8-(6-methoxypyrimidin-4-yl)-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine?

(3S)-N-(furan-2-ylmethyl)-8-(6-methoxypyrimidin-4-yl)-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 358.44 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-(furan-2-ylmethyl)-8-(6-methoxypyrimidin-4-yl)-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 97450633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).