9-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one

C19H28FN5O2 — CID 97209011

About 9-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one

9-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97209011) has the molecular formula C19H28FN5O2 and a molecular weight of 377.46 g/mol. Its IUPAC name is 9-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: 9-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
• PubChem CID: 97209011
• Molecular Formula: C19H28FN5O2
• Molecular Weight: 377.46 g/mol
• Exact Mass: 377.22
• IUPAC Name: 9-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
• SMILES: CNc1nc(N2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)ncc1F
• InChI: InChI=1S/C19H28FN5O2/c1-21-17-15(20)11-22-18(23-17)24-8-6-19(7-9-24)5-4-16(26)25(13-19)12-14-3-2-10-27-14/h11,14H,2-10,12-13H2,1H3,(H,21,22,23)/t14-/m0/s1
• InChIKey: RCYSELCDYSJQBE-AWEZNQCLSA-N
• XLogP: 2.05
• TPSA: 70.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.46
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one?

The IUPAC name of 9-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 97209011) is 9-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for 9-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for 9-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one is CNc1nc(N2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)ncc1F.

What is the InChIKey of 9-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one?

The InChIKey is RCYSELCDYSJQBE-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H28FN5O2/c1-21-17-15(20)11-22-18(23-17)24-8-6-19(7-9-24)5-4-16(26)25(13-19)12-14-3-2-10-27-14/h11,14H,2-10,12-13H2,1H3,(H,21,22,23)/t14-/m0/s1.

What are the key properties of 9-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one?

9-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 377.46 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97209011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).