3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane

C19H28N6O — CID 118746399

About 3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane

3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane (PubChem CID 118746399) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane.

Molecular Properties

• Compound Name: 3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
• PubChem CID: 118746399
• Molecular Formula: C19H28N6O
• Molecular Weight: 356.47 g/mol
• Exact Mass: 356.23
• IUPAC Name: 3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
• SMILES: COCC1CC2(CCN(Cc3cnn(C)c3)CC2)CN1c1ncccn1
• InChI: InChI=1S/C19H28N6O/c1-23-12-16(11-22-23)13-24-8-4-19(5-9-24)10-17(14-26-2)25(15-19)18-20-6-3-7-21-18/h3,6-7,11-12,17H,4-5,8-10,13-15H2,1-2H3
• InChIKey: RRTNOJBJPJXKRL-UHFFFAOYSA-N
• XLogP: 1.72
• TPSA: 59.31 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.47
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?

The IUPAC name of 3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane (CID 118746399) is 3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane.

What is the SMILES notation for 3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?

The canonical SMILES for 3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane is COCC1CC2(CCN(Cc3cnn(C)c3)CC2)CN1c1ncccn1.

What is the InChIKey of 3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?

The InChIKey is RRTNOJBJPJXKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-23-12-16(11-22-23)13-24-8-4-19(5-9-24)10-17(14-26-2)25(15-19)18-20-6-3-7-21-18/h3,6-7,11-12,17H,4-5,8-10,13-15H2,1-2H3.

What are the key properties of 3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?

3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane has a molecular weight of 356.47 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 118746399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).