(3S)-2-methyl-3-(pyridin-2-ylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one

C19H23N5O — CID 124968480

About (3S)-2-methyl-3-(pyridin-2-ylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one

(3S)-2-methyl-3-(pyridin-2-ylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 124968480) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is (3S)-2-methyl-3-(pyridin-2-ylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

• Compound Name: (3S)-2-methyl-3-(pyridin-2-ylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one
• PubChem CID: 124968480
• Molecular Formula: C19H23N5O
• Molecular Weight: 337.43 g/mol
• Exact Mass: 337.19
• IUPAC Name: (3S)-2-methyl-3-(pyridin-2-ylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one
• SMILES: CN1C(=O)C2(CCN(c3ncccn3)CC2)C[C@H]1Cc1ccccn1
• InChI: InChI=1S/C19H23N5O/c1-23-16(13-15-5-2-3-8-20-15)14-19(17(23)25)6-11-24(12-7-19)18-21-9-4-10-22-18/h2-5,8-10,16H,6-7,11-14H2,1H3/t16-/m1/s1
• InChIKey: JBJONOMAQOYRPA-MRXNPFEDSA-N
• XLogP: 1.93
• TPSA: 62.22 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.43
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3S)-2-methyl-3-(pyridin-2-ylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one?

The IUPAC name of (3S)-2-methyl-3-(pyridin-2-ylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one (CID 124968480) is (3S)-2-methyl-3-(pyridin-2-ylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one.

What is the SMILES notation for (3S)-2-methyl-3-(pyridin-2-ylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one?

The canonical SMILES for (3S)-2-methyl-3-(pyridin-2-ylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one is CN1C(=O)C2(CCN(c3ncccn3)CC2)C[C@H]1Cc1ccccn1.

What is the InChIKey of (3S)-2-methyl-3-(pyridin-2-ylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one?

The InChIKey is JBJONOMAQOYRPA-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23N5O/c1-23-16(13-15-5-2-3-8-20-15)14-19(17(23)25)6-11-24(12-7-19)18-21-9-4-10-22-18/h2-5,8-10,16H,6-7,11-14H2,1H3/t16-/m1/s1.

What are the key properties of (3S)-2-methyl-3-(pyridin-2-ylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one?

(3S)-2-methyl-3-(pyridin-2-ylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 337.43 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-2-methyl-3-(pyridin-2-ylmethyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 124968480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).