AB52758
1093101-52-0 | 6-(2-Fluoropyridin-3-yl)-9-(tetrahydro-2H-pyran-2-yl)-9H-purine
Manufacturer: A2B Chem
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CatalogNumber
AB52758
ChemicalName
6-(2-Fluoropyridin-3-yl)-9-(tetrahydro-2H-pyran-2-yl)-9H-purine
CasNumber
1093101-52-0
MolecularFormula
C15H14FN5O
MolecularWeight
299.303
MdlNumber
MFCD28402162
Smiles
Fc1ncccc1c1ncnc2c1ncn2C1CCCCO1
Complexity
387
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
6
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
1.8
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CatalogNumber: AB52758
ChemicalName: 6-(2-Fluoropyridin-3-yl)-9-(tetrahydro-2H-pyran-2-yl)-9H-purine
CasNumber: 1093101-52-0
MolecularFormula: C15H14FN5O
MolecularWeight: 299.303
MdlNumber: MFCD28402162
Smiles: Fc1ncccc1c1ncnc2c1ncn2C1CCCCO1
Complexity: 387
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 6
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.8
CatalogNumber:
AB52758
ChemicalName:
6-(2-Fluoropyridin-3-yl)-9-(tetrahydro-2H-pyran-2-yl)-9H-purine
CasNumber:
1093101-52-0
MolecularFormula:
C15H14FN5O
MolecularWeight:
299.303
MdlNumber:
MFCD28402162
Smiles:
Fc1ncccc1c1ncnc2c1ncn2C1CCCCO1
Complexity:
387
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
6
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NNc1cccc(c1)n1cnnn1.Cl
Complexity: 163
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NNc1cccc(c1)n1cnnn1.Cl
Complexity:
163
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCC(=O)N1CCC[C@H]1C(=O)OC(C)(C)C.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCC(=O)N1CCC[C@H]1C(=O)OC(C)(C)C.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1nnc(s1)C1CCCCC1
Complexity: 147
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1nnc(s1)C1CCCCC1
Complexity:
147
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.2