AI52571
5604-46-6 | 2-Amino-4,6-dichloropyrimidine-5-carbaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AI52571
ChemicalName
2-Amino-4,6-dichloropyrimidine-5-carbaldehyde
CasNumber
5604-46-6
MolecularFormula
C5H3Cl2N3O
MolecularWeight
192.00282
MdlNumber
MFCD03001242
Smiles
O=Cc1c(Cl)nc(nc1Cl)N
NscNumber
101680
Complexity
145
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.2
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CatalogNumber: AI52571
ChemicalName: 2-Amino-4,6-dichloropyrimidine-5-carbaldehyde
CasNumber: 5604-46-6
MolecularFormula: C5H3Cl2N3O
MolecularWeight: 192.00282
MdlNumber: MFCD03001242
Smiles: O=Cc1c(Cl)nc(nc1Cl)N
NscNumber: 101680
Complexity: 145
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.2
CatalogNumber:
AI52571
ChemicalName:
2-Amino-4,6-dichloropyrimidine-5-carbaldehyde
CasNumber:
5604-46-6
MolecularFormula:
C5H3Cl2N3O
MolecularWeight:
192.00282
MdlNumber:
MFCD03001242
Smiles:
O=Cc1c(Cl)nc(nc1Cl)N
NscNumber:
101680
Complexity:
145
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.2
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Smiles: OS(=O)(=O)c1ccc(cc1)/C/1=C/2C=C[C]32=C(C2=N/C(=C(c4n([Cu]3)c(/C(=C/3N=C1C=C3)/c1ccc(cc1)S(=O)(=O)O)cc4)/c1ccc(cc1)S(=O)(=O)O)/C=C2)c1ccc(cc1)S(=O)(=O)O
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Smiles:
OS(=O)(=O)c1ccc(cc1)/C/1=C/2C=C[C]32=C(C2=N/C(=C(c4n([Cu]3)c(/C(=C/3N=C1C=C3)/c1ccc(cc1)S(=O)(=O)O)cc4)/c1ccc(cc1)S(=O)(=O)O)/C=C2)c1ccc(cc1)S(=O)(=O)O
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RotatableBondCount:
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Smiles: OC[C@@H]1C[C@H](CN1S(=O)(=O)c1ccc(cc1)C)O
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Smiles:
OC[C@@H]1C[C@H](CN1S(=O)(=O)c1ccc(cc1)C)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CC1(C(N1)(C)C2=CC=CC=C2)C
NscNumber: __
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Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CC1(C(N1)(C)C2=CC=CC=C2)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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