2-methyl-8-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-3-one

C25H29N5O2 — CID 152958855

About 2-methyl-8-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-3-one

2-methyl-8-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 152958855) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-methyl-8-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

• Compound Name: 2-methyl-8-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-3-one
• PubChem CID: 152958855
• Molecular Formula: C25H29N5O2
• Molecular Weight: 431.54 g/mol
• Exact Mass: 431.23
• IUPAC Name: 2-methyl-8-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-3-one
• SMILES: CN1CC2(CCN(c3cc(C4=NCc5ccc(OC6(C)CC6)cc54)ncn3)CC2)CC1=O
• InChI: InChI=1S/C25H29N5O2/c1-24(5-6-24)32-18-4-3-17-14-26-23(19(17)11-18)20-12-21(28-16-27-20)30-9-7-25(8-10-30)13-22(31)29(2)15-25/h3-4,11-12,16H,5-10,13-15H2,1-2H3
• InChIKey: UQDYUAOGPWSPGZ-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 70.92 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.54
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-3-one?

The IUPAC name of 2-methyl-8-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-3-one (CID 152958855) is 2-methyl-8-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-3-one.

What is the SMILES notation for 2-methyl-8-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-3-one?

The canonical SMILES for 2-methyl-8-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-3-one is CN1CC2(CCN(c3cc(C4=NCc5ccc(OC6(C)CC6)cc54)ncn3)CC2)CC1=O.

What is the InChIKey of 2-methyl-8-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-3-one?

The InChIKey is UQDYUAOGPWSPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-24(5-6-24)32-18-4-3-17-14-26-23(19(17)11-18)20-12-21(28-16-27-20)30-9-7-25(8-10-30)13-22(31)29(2)15-25/h3-4,11-12,16H,5-10,13-15H2,1-2H3.

What are the key properties of 2-methyl-8-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-3-one?

2-methyl-8-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 431.54 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-8-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 152958855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).