CAS: 346599-63-1
Name: 4-chloro-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILES:
C1C2=C(NC1=O)N=CN=C2ClMolecular Processing
Molecular formula
C6H4ClN3O
Molecular weight
169.57
Exact mass
169.0043
XLogP
0.62
TPSA
54.88
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
11
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
39.38
Supplementary Information
InChIKey: PKKYYNMRPXEIFE-UHFFFAOYSA-N
Synonyme
4-chloro-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one4-chloro-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-6-one4-chloro-5H,6H,7H-pyrrolo(2,3-d)pyrimidin-6-one4-Chloro-5,7-dihydro-6H-pyrrolo(2,3-d)pyrimidin-6-oneRefChem:521510817-229-4346599-63-14-CHLORO-5H-PYRROLO[2,3-D]PYRIMIDIN-6(7H)-ONEMFCD098329034-chloro-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-oneSCHEMBL260293orb3022526SCHEMBL2837683DTXSID60477471TPL0546PKKYYNMRPXEIFE-UHFFFAOYSA-N6H-Pyrrolo[2,3-d]pyrimidin-6-one, 4-chloro-1,5-dihydro-WNA59963AKOS006327062PB22259AC-28834AS-38619SY013655DB-069047CS-0050917EN300-2577265H-4-Chloro-pyrrolo[2,3-d]pyrimidin-6(7H)-oneF2095114-CHLORO-5,7-DIHYDRO-PYRROLO[2,3-D]PYRIMIDIN-6-ONE4-Chloro-5 pound not7-dihydro-6H-pyrrolo[2 pound not3-d]pyrimidin-6-one
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