AE43029
1353989-80-6 | 1-(6-(Cyclopropylamino)pyrimidin-4-yl)piperidine-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AE43029
ChemicalName
1-(6-(Cyclopropylamino)pyrimidin-4-yl)piperidine-3-carboxylic acid
CasNumber
1353989-80-6
MolecularFormula
C13H18N4O2
MolecularWeight
262.3076
MdlNumber
MFCD21098612
Smiles
OC(=O)C1CCCN(C1)c1ncnc(c1)NC1CC1
Complexity
335
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
1.6
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CatalogNumber: AE43029
ChemicalName: 1-(6-(Cyclopropylamino)pyrimidin-4-yl)piperidine-3-carboxylic acid
CasNumber: 1353989-80-6
MolecularFormula: C13H18N4O2
MolecularWeight: 262.3076
MdlNumber: MFCD21098612
Smiles: OC(=O)C1CCCN(C1)c1ncnc(c1)NC1CC1
Complexity: 335
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.6
CatalogNumber:
AE43029
ChemicalName:
1-(6-(Cyclopropylamino)pyrimidin-4-yl)piperidine-3-carboxylic acid
CasNumber:
1353989-80-6
MolecularFormula:
C13H18N4O2
MolecularWeight:
262.3076
MdlNumber:
MFCD21098612
Smiles:
OC(=O)C1CCCN(C1)c1ncnc(c1)NC1CC1
Complexity:
335
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.6
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Smiles: Fc1ccc(cc1)S(=O)(=O)CC1CCCN1C(=O)OC(C)(C)C
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Smiles:
Fc1ccc(cc1)S(=O)(=O)CC1CCCN1C(=O)OC(C)(C)C
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Smiles: Fc1ccc(cc1)S(=O)(=O)NCC1CCCNC1.Cl
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Smiles:
Fc1ccc(cc1)S(=O)(=O)NCC1CCCNC1.Cl
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__
HydrogenBondAcceptorCount:
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Smiles: CC(=O)OCC[Si](N(C)C)(N(C)C)N(C)C
Complexity: __
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__
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)OCC[Si](N(C)C)(N(C)C)N(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__