argon;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine

C11H15ArBF3N3O2 — CID 90123945

IUPACargon;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCC1(C)OB(c2cnc(N)nc2C(F)(F)F)OC1(C)C.[Ar]
InChIInChI=1S/C11H15BF3N3O2.Ar/c1-9(2)10(3,4)20-12(19-9)6-5-17-8(16)18-7(6)11(13,14)15;/h5H,1-4H3,(H2,16,17,18);
InChIKeyUKQHBRCGQMRVBV-UHFFFAOYSA-N
MW329.01 g/mol
LogP1.38
Rot. Bonds1

About argon;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine

argon;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 90123945) has the molecular formula C11H15ArBF3N3O2 and a molecular weight of 329.01 g/mol. Its IUPAC name is argon;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Nameargon;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID90123945
Molecular FormulaC11H15ArBF3N3O2
Molecular Weight329.01 g/mol
Exact Mass329.08
IUPAC Nameargon;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCC1(C)OB(c2cnc(N)nc2C(F)(F)F)OC1(C)C.[Ar]
InChIInChI=1S/C11H15BF3N3O2.Ar/c1-9(2)10(3,4)20-12(19-9)6-5-17-8(16)18-7(6)11(13,14)15;/h5H,1-4H3,(H2,16,17,18);
InChIKeyUKQHBRCGQMRVBV-UHFFFAOYSA-N
XLogP1.38
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.01
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of argon;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of argon;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine (CID 90123945) is argon;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for argon;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for argon;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine is CC1(C)OB(c2cnc(N)nc2C(F)(F)F)OC1(C)C.[Ar].
What is the InChIKey of argon;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is UKQHBRCGQMRVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BF3N3O2.Ar/c1-9(2)10(3,4)20-12(19-9)6-5-17-8(16)18-7(6)11(13,14)15;/h5H,1-4H3,(H2,16,17,18);.
What are the key properties of argon;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
argon;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 329.01 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for argon;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 90123945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).