AE08579
106157-82-8 | 1-(2-Aminopyrimidin-4-yl)ethanone
Manufacturer: A2B Chem
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CatalogNumber
AE08579
ChemicalName
1-(2-Aminopyrimidin-4-yl)ethanone
CasNumber
106157-82-8
MolecularFormula
C6H7N3O
MolecularWeight
137.1393
MdlNumber
MFCD09263814
Smiles
CC(=O)c1cc[nH]c(=N)n1
Complexity
137
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
-0.1
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CatalogNumber: AE08579
ChemicalName: 1-(2-Aminopyrimidin-4-yl)ethanone
CasNumber: 106157-82-8
MolecularFormula: C6H7N3O
MolecularWeight: 137.1393
MdlNumber: MFCD09263814
Smiles: CC(=O)c1cc[nH]c(=N)n1
Complexity: 137
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: -0.1
CatalogNumber:
AE08579
ChemicalName:
1-(2-Aminopyrimidin-4-yl)ethanone
CasNumber:
106157-82-8
MolecularFormula:
C6H7N3O
MolecularWeight:
137.1393
MdlNumber:
MFCD09263814
Smiles:
CC(=O)c1cc[nH]c(=N)n1
Complexity:
137
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
-0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: COc1ccc(cc1)Nc1ccc2c(c1)cc(c1c2[O-][Cr+3]234([N]1=Nc1c([O-]3)c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])[O-]c1ccc(cc1N=[N]4c1c([O-]2)ccc2c1cccc2)Cl)S(=O)(=O)[O-].[Na+].[Na+]
Complexity: __
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Smiles:
COc1ccc(cc1)Nc1ccc2c(c1)cc(c1c2[O-][Cr+3]234([N]1=Nc1c([O-]3)c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])[O-]c1ccc(cc1N=[N]4c1c([O-]2)ccc2c1cccc2)Cl)S(=O)(=O)[O-].[Na+].[Na+]
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: ClC1=C(Cl)C2(C(C1(Cl)C1C2COS(=O)(=O)OC1)(Cl)Cl)Cl
Complexity: __
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Smiles:
ClC1=C(Cl)C2(C(C1(Cl)C1C2COS(=O)(=O)OC1)(Cl)Cl)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: C1=CC(=C(C2=C1OC3=C(O2)C(=C(C=C3)Cl)Cl)Cl)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
C1=CC(=C(C2=C1OC3=C(O2)C(=C(C=C3)Cl)Cl)Cl)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__