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Pyrimidine Related Compound 2

CAT: 1596-AR-P33431-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P33431-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1173206-16-0
Molecular Formula
C10H16BN3O2
Molecular Weight
221.07
API Name
Pyrimidine

Chemical Information

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
CAS Number1173206-16-0
PubChem CID45785836
IUPAC Name4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
Molecular FormulaC10H16BN3O2
Molecular Weight221.07
Topological Polar Surface Area70.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity257
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=NC(=NC=C2)N
InChI
InChI=1S/C10H16BN3O2/c1-9(2)10(3,4)16-11(15-9)7-5-6-13-8(12)14-7/h5-6H,1-4H3,(H2,12,13,14)
InChIKey
VSUSXIKKYBQZAG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
CAS: 1173206-16-0
CID: 45785836
Formula: C10H16BN3O2
MW: 221.07
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight221.07
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass221.1335569
Monoisotopic Mass221.1335569
Topological Polar Surface Area70.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity257
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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