2-(Homopiperidin-1-yl)pyrimidine- 5-boronic acid pinacol ester

• CAS: 1015242-05-3
• Catalog Number: ACM1015242053
• Category: Boronic Esters
• Molecular Weight: 303.207540 [g/mol]
• Molecular Formula: C16H26BN3O2
• Synonyms: SureCN3607785, D-5140, 1-(5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIMIDIN-2-YL)AZEPANE, 1015242-05-3
• IUPAC Name: 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]azepane
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)N3CCCCCC3
• InChI Key: UUBFPTDIJZLCFT-UHFFFAOYSA-N
• Exact Mass: 321.22200
• H-Bond Acceptor: 5
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of 2-(Homopiperidin-1-yl)pyrimidine-5-boronic acid pinacol ester?

The molecular formula is C16H28BN3O3.

When was 2-(Homopiperidin-1-yl)pyrimidine-5-boronic acid pinacol ester created?

It was created on 2015-11-11.

What is the computed molecular weight of 2-(Homopiperidin-1-yl)pyrimidine-5-boronic acid pinacol ester?

The molecular weight is 321.2 g/mol.

How many hydrogen bond donor counts does 2-(Homopiperidin-1-yl)pyrimidine-5-boronic acid pinacol ester have?

It has 2 hydrogen bond donor counts.

What is the topological polar surface area of 2-(Homopiperidin-1-yl)pyrimidine-5-boronic acid pinacol ester?

The topological polar surface area is 78.7 Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.

What is the InChIKey of 2-(Homopiperidin-1-yl)pyrimidine-5-boronic acid pinacol ester?

The InChIKey is SZXQWZPDCAVGGP-UHFFFAOYSA-N.

How many heavy atoms does 2-(Homopiperidin-1-yl)pyrimidine-5-boronic acid pinacol ester contain?

It contains 23 heavy atoms.

What is the complexity of 2-(Homopiperidin-1-yl)pyrimidine-5-boronic acid pinacol ester?

The complexity is 366.

How many rotatable bond counts does 2-(Homopiperidin-1-yl)pyrimidine-5-boronic acid pinacol ester have?

It has 5 rotatable bond counts.