2-Tert-butoxylpyrimidine-5-boronic acid

• Catalog Number: ACM175137265
• Product Name: 2-Tert-butoxylpyrimidine-5-boronic acid
• CAS: 175137-26-5
• Category: Boronic Acids
• Synonyms: 6-(tert-butyl)pyrimidine-2,4-diamine, 175137-26-5, 6-tert-butylpyrimidine-2,4-diamine, ZINC00082209, AC1MCRTU, Maybridge1_004010, CTK4D5331, HMS552O06, MolPort-001-763-461, ANW-61091, CCG-44156, AKOS009158583, AG-E-24961, GK01685, 2-tert-Butoxylpyrimidine-5-boronic acid;, AK-62527, FT-0620829, 2,4-Pyrimidinediamine,6-(1,1-dimethylethyl)-, SR-01000634010-1, I14-35191
• IUPAC Name: 6-tert-butylpyrimidine-2,4-diamine
• Molecular Weight: 166.22
• Molecular Formula: C₈H₁₄N₄
• Canonical SMILES: CC(C)(C)C1=CC(=NC(=N1)N)N
• InChI Key: VNQNQIXFWUDBDX-UHFFFAOYSA-N
• Boiling Point: 367.9ºC at 760mmHg
• Flash Point: 204ºC
• Density: 1.129g/cm³
• Exact Mass: 166.12200
• H-Bond Acceptor: 4
• H-Bond Donor: 2

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C8H13BN2O3.

What are the synonyms for the compound?

The synonyms for the compound are 2-tert-Butoxylpyrimidine-5-boronic acid, 2-TERT-BUTOXY-PYRIMIDINE-5-BORONIC ACID, 2225180-17-4, and 2-tert-butoxy-pyrimidine-5-boronicacid.

What is the molecular weight of the compound?

The molecular weight of the compound is 196.01 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is [2-[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]boronic acid.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C8H13BN2O3/c1-8(2,3)14-7-10-4-6(5-11-7)9(12)13/h4-5,12-13H,1-3H3.

What is the InChIKey of the compound?

The InChIKey of the compound is VDQNRPQZSBKXAR-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is B(C1=CN=C(N=C1)OC(C)(C)C)(O)O.

How many hydrogen bond donor counts does the compound have?

The compound has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 5 hydrogen bond acceptor counts.

How many rotatable bond counts does the compound have?

The compound has 3 rotatable bond counts.