3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-(2-methylpyrazol-3-yl)pyrimidin-4-one

C19H27N5O2 — CID 139375461

About 3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-(2-methylpyrazol-3-yl)pyrimidin-4-one

3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-(2-methylpyrazol-3-yl)pyrimidin-4-one (PubChem CID 139375461) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-(2-methylpyrazol-3-yl)pyrimidin-4-one.

Molecular Properties

• Compound Name: 3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-(2-methylpyrazol-3-yl)pyrimidin-4-one
• PubChem CID: 139375461
• Molecular Formula: C19H27N5O2
• Molecular Weight: 357.46 g/mol
• Exact Mass: 357.22
• IUPAC Name: 3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-(2-methylpyrazol-3-yl)pyrimidin-4-one
• SMILES: CN1CCC(O)(Cn2cnc(-c3ccnn3C)cc2=O)C2(CCCC2)C1
• InChI: InChI=1S/C19H27N5O2/c1-22-10-8-19(26,18(12-22)6-3-4-7-18)13-24-14-20-15(11-17(24)25)16-5-9-21-23(16)2/h5,9,11,14,26H,3-4,6-8,10,12-13H2,1-2H3
• InChIKey: SYOKCPYNFKPRSR-UHFFFAOYSA-N
• XLogP: 1.27
• TPSA: 76.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.46
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-(2-methylpyrazol-3-yl)pyrimidin-4-one?

The IUPAC name of 3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-(2-methylpyrazol-3-yl)pyrimidin-4-one (CID 139375461) is 3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-(2-methylpyrazol-3-yl)pyrimidin-4-one.

What is the SMILES notation for 3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-(2-methylpyrazol-3-yl)pyrimidin-4-one?

The canonical SMILES for 3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-(2-methylpyrazol-3-yl)pyrimidin-4-one is CN1CCC(O)(Cn2cnc(-c3ccnn3C)cc2=O)C2(CCCC2)C1.

What is the InChIKey of 3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-(2-methylpyrazol-3-yl)pyrimidin-4-one?

The InChIKey is SYOKCPYNFKPRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-22-10-8-19(26,18(12-22)6-3-4-7-18)13-24-14-20-15(11-17(24)25)16-5-9-21-23(16)2/h5,9,11,14,26H,3-4,6-8,10,12-13H2,1-2H3.

What are the key properties of 3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-(2-methylpyrazol-3-yl)pyrimidin-4-one?

3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-(2-methylpyrazol-3-yl)pyrimidin-4-one has a molecular weight of 357.46 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-(2-methylpyrazol-3-yl)pyrimidin-4-one is sourced from PubChem (CID 139375461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).