AF57719
346599-63-1 | 4-Chloro-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one
Manufacturer: A2B Chem
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CatalogNumber
AF57719
ChemicalName
4-Chloro-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one
CasNumber
346599-63-1
MolecularFormula
C6H4ClN3O
MolecularWeight
169.5685
MdlNumber
MFCD09832903
Smiles
O=C1Nc2c(C1)c(Cl)ncn2
Complexity
187
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
Xlogp3
0.3
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CatalogNumber: AF57719
ChemicalName: 4-Chloro-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one
CasNumber: 346599-63-1
MolecularFormula: C6H4ClN3O
MolecularWeight: 169.5685
MdlNumber: MFCD09832903
Smiles: O=C1Nc2c(C1)c(Cl)ncn2
Complexity: 187
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
Xlogp3: 0.3
CatalogNumber:
AF57719
ChemicalName:
4-Chloro-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one
CasNumber:
346599-63-1
MolecularFormula:
C6H4ClN3O
MolecularWeight:
169.5685
MdlNumber:
MFCD09832903
Smiles:
O=C1Nc2c(C1)c(Cl)ncn2
Complexity:
187
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
Xlogp3:
0.3
CatalogNumber: AF57720
ChemicalName: YM-201636
CasNumber: 371942-69-7
MolecularFormula: C25H21N7O3
MolecularWeight: 467.47933999999987
MdlNumber: MFCD16038303
Smiles: Nc1ccc(cn1)C(=O)Nc1cccc(c1)c1nc(N2CCOCC2)c2c(n1)c1cccnc1o2
Complexity: 738
Covalently-bondedUnitCount: 1
HeavyAtomCount: 35
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 2
Xlogp3: 2.5
CatalogNumber:
AF57720
ChemicalName:
YM-201636
CasNumber:
371942-69-7
MolecularFormula:
C25H21N7O3
MolecularWeight:
467.47933999999987
MdlNumber:
MFCD16038303
Smiles:
Nc1ccc(cn1)C(=O)Nc1cccc(c1)c1nc(N2CCOCC2)c2c(n1)c1cccnc1o2
Complexity:
738
Covalently-bondedUnitCount:
1
HeavyAtomCount:
35
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
2
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1nc(O)c2c(n1)[nH]cc2
Complexity: 216
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: -0.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1nc(O)c2c(n1)[nH]cc2
Complexity:
216
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
-0.4
CatalogNumber: AF57722
ChemicalName: 4-Chloro-5-fluoropyrimidine
CasNumber: 347418-42-2
MolecularFormula: C4H2ClFN2
MolecularWeight: 132.5234832
MdlNumber: MFCD09750157
Smiles: Fc1cncnc1Cl
Complexity: 80.4
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
Xlogp3: 1.3
CatalogNumber:
AF57722
ChemicalName:
4-Chloro-5-fluoropyrimidine
CasNumber:
347418-42-2
MolecularFormula:
C4H2ClFN2
MolecularWeight:
132.5234832
MdlNumber:
MFCD09750157
Smiles:
Fc1cncnc1Cl
Complexity:
80.4
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
Xlogp3:
1.3