(6R)-8-(4,6-dimethoxypyrimidin-2-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

C21H27N5O3 — CID 97125821

About (6R)-8-(4,6-dimethoxypyrimidin-2-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

(6R)-8-(4,6-dimethoxypyrimidin-2-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 97125821) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is (6R)-8-(4,6-dimethoxypyrimidin-2-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: (6R)-8-(4,6-dimethoxypyrimidin-2-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
• PubChem CID: 97125821
• Molecular Formula: C21H27N5O3
• Molecular Weight: 397.48 g/mol
• Exact Mass: 397.21
• IUPAC Name: (6R)-8-(4,6-dimethoxypyrimidin-2-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
• SMILES: COc1cc(OC)nc(N2CCC[C@@]3(CCC(=O)N(Cc4cccnc4)C3)C2)n1
• InChI: InChI=1S/C21H27N5O3/c1-28-17-11-18(29-2)24-20(23-17)25-10-4-7-21(14-25)8-6-19(27)26(15-21)13-16-5-3-9-22-12-16/h3,5,9,11-12H,4,6-8,10,13-15H2,1-2H3/t21-/m1/s1
• InChIKey: ZWESCYGIYQLDQX-OAQYLSRUSA-N
• XLogP: 2.30
• TPSA: 80.68 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.48
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (6R)-8-(4,6-dimethoxypyrimidin-2-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?

The IUPAC name of (6R)-8-(4,6-dimethoxypyrimidin-2-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 97125821) is (6R)-8-(4,6-dimethoxypyrimidin-2-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for (6R)-8-(4,6-dimethoxypyrimidin-2-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for (6R)-8-(4,6-dimethoxypyrimidin-2-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one is COc1cc(OC)nc(N2CCC[C@@]3(CCC(=O)N(Cc4cccnc4)C3)C2)n1.

What is the InChIKey of (6R)-8-(4,6-dimethoxypyrimidin-2-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?

The InChIKey is ZWESCYGIYQLDQX-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-28-17-11-18(29-2)24-20(23-17)25-10-4-7-21(14-25)8-6-19(27)26(15-21)13-16-5-3-9-22-12-16/h3,5,9,11-12H,4,6-8,10,13-15H2,1-2H3/t21-/m1/s1.

What are the key properties of (6R)-8-(4,6-dimethoxypyrimidin-2-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?

(6R)-8-(4,6-dimethoxypyrimidin-2-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 397.48 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-8-(4,6-dimethoxypyrimidin-2-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97125821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).