AA54466
1218789-35-5 | 2-(Cyclohexylamino)pyrimidine-5-boronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AA54466
ChemicalName
2-(Cyclohexylamino)pyrimidine-5-boronic acid, pinacol ester
CasNumber
1218789-35-5
MolecularFormula
C16H26BN3O2
MolecularWeight
303.2075
MdlNumber
MFCD00002706
Smiles
CC1(C)OB(OC1(C)C)c1cnc(nc1)NC1CCCCC1
Complexity
362
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
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CatalogNumber: AA54466
ChemicalName: 2-(Cyclohexylamino)pyrimidine-5-boronic acid, pinacol ester
CasNumber: 1218789-35-5
MolecularFormula: C16H26BN3O2
MolecularWeight: 303.2075
MdlNumber: MFCD00002706
Smiles: CC1(C)OB(OC1(C)C)c1cnc(nc1)NC1CCCCC1
Complexity: 362
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
CatalogNumber:
AA54466
ChemicalName:
2-(Cyclohexylamino)pyrimidine-5-boronic acid, pinacol ester
CasNumber:
1218789-35-5
MolecularFormula:
C16H26BN3O2
MolecularWeight:
303.2075
MdlNumber:
MFCD00002706
Smiles:
CC1(C)OB(OC1(C)C)c1cnc(nc1)NC1CCCCC1
Complexity:
362
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCNc1ncc(cn1)B1OC(C(O1)(C)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCNc1ncc(cn1)B1OC(C(O1)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AA54468
ChemicalName: 2-Cyclopropylaminopyrimidine-5-boronic acid, pinacol ester
CasNumber: 1218789-33-3
MolecularFormula: C13H20BN3O2
MolecularWeight: 261.1278
MdlNumber: MFCD07375178
Smiles: CC1(C)OB(OC1(C)C)c1cnc(nc1)NC1CC1
Complexity: 323
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
CatalogNumber:
AA54468
ChemicalName:
2-Cyclopropylaminopyrimidine-5-boronic acid, pinacol ester
CasNumber:
1218789-33-3
MolecularFormula:
C13H20BN3O2
MolecularWeight:
261.1278
MdlNumber:
MFCD07375178
Smiles:
CC1(C)OB(OC1(C)C)c1cnc(nc1)NC1CC1
Complexity:
323
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
CatalogNumber: AA54469
ChemicalName: 2-(2,2,2-Trifluoroethylamino)pyrimidine-5-boronic acid, pinacol ester
CasNumber: 1218789-32-2
MolecularFormula: C12H17BF3N3O2
MolecularWeight: 303.0885
MdlNumber: MFCD12546561
Smiles: FC(CNc1ncc(cn1)B1OC(C(O1)(C)C)(C)C)(F)F
Complexity: 355
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 1
RotatableBondCount: 3
CatalogNumber:
AA54469
ChemicalName:
2-(2,2,2-Trifluoroethylamino)pyrimidine-5-boronic acid, pinacol ester
CasNumber:
1218789-32-2
MolecularFormula:
C12H17BF3N3O2
MolecularWeight:
303.0885
MdlNumber:
MFCD12546561
Smiles:
FC(CNc1ncc(cn1)B1OC(C(O1)(C)C)(C)C)(F)F
Complexity:
355
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
1
RotatableBondCount:
3