AA95530
180283-66-3 | 2-Dimethylamino-pyrimidine-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA95530
ChemicalName
2-Dimethylamino-pyrimidine-5-carboxylic acid
CasNumber
180283-66-3
MolecularFormula
C7H9N3O2
MolecularWeight
167.1653
MdlNumber
MFCD06589846
Smiles
CN(c1ncc(cn1)C(=O)O)C
NscNumber
80312
Complexity
164
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.2
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CatalogNumber: AA95530
ChemicalName: 2-Dimethylamino-pyrimidine-5-carboxylic acid
CasNumber: 180283-66-3
MolecularFormula: C7H9N3O2
MolecularWeight: 167.1653
MdlNumber: MFCD06589846
Smiles: CN(c1ncc(cn1)C(=O)O)C
NscNumber: 80312
Complexity: 164
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.2
CatalogNumber:
AA95530
ChemicalName:
2-Dimethylamino-pyrimidine-5-carboxylic acid
CasNumber:
180283-66-3
MolecularFormula:
C7H9N3O2
MolecularWeight:
167.1653
MdlNumber:
MFCD06589846
Smiles:
CN(c1ncc(cn1)C(=O)O)C
NscNumber:
80312
Complexity:
164
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.2
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Smiles: OCCCc1ccc(cc1)CC
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Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
OCCCc1ccc(cc1)CC
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RotatableBondCount:
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Smiles: c1ccc(cc1)[C@H]1NCCc2c1cccc2
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Smiles:
c1ccc(cc1)[C@H]1NCCc2c1cccc2
NscNumber:
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Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN(CCCC1(O)c2ccccc2C=Cc2c1cccc2)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN(CCCC1(O)c2ccccc2C=Cc2c1cccc2)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__