6-[[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione

C20H25N5O3 — CID 97120265

About 6-[[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione

6-[[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 97120265) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 6-[[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 6-[[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione
• PubChem CID: 97120265
• Molecular Formula: C20H25N5O3
• Molecular Weight: 383.45 g/mol
• Exact Mass: 383.20
• IUPAC Name: 6-[[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione
• SMILES: O=C1CC[C@@]2(CCCN(Cc3cc(=O)[nH]c(=O)[nH]3)C2)CN1Cc1ccccn1
• InChI: InChI=1S/C20H25N5O3/c26-17-10-16(22-19(28)23-17)11-24-9-3-6-20(13-24)7-5-18(27)25(14-20)12-15-4-1-2-8-21-15/h1-2,4,8,10H,3,5-7,9,11-14H2,(H2,22,23,26,28)/t20-/m1/s1
• InChIKey: XNUJERIKFUHBTN-HXUWFJFHSA-N
• XLogP: 0.86
• TPSA: 102.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.45
LogP ≤ 5	0.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione?

The IUPAC name of 6-[[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione (CID 97120265) is 6-[[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione.

What is the SMILES notation for 6-[[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione?

The canonical SMILES for 6-[[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione is O=C1CC[C@@]2(CCCN(Cc3cc(=O)[nH]c(=O)[nH]3)C2)CN1Cc1ccccn1.

What is the InChIKey of 6-[[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione?

The InChIKey is XNUJERIKFUHBTN-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H25N5O3/c26-17-10-16(22-19(28)23-17)11-24-9-3-6-20(13-24)7-5-18(27)25(14-20)12-15-4-1-2-8-21-15/h1-2,4,8,10H,3,5-7,9,11-14H2,(H2,22,23,26,28)/t20-/m1/s1.

What are the key properties of 6-[[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione?

6-[[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 383.45 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 97120265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).