Name: 4-(3-chloro-4-fluoroanilino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILES:
C1C2=C(NC1=O)N=CN=C2NC3=CC(=C(C=C3)F)ClMolecular Processing
Molecular formula
C12H8ClFN4O
Molecular weight
278.67
Exact mass
278.0371
XLogP
2.51
TPSA
66.91
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
69.06
Supplementary Information
InChIKey: ZUZMVACUXKYXTJ-UHFFFAOYSA-N
Synonyme
4-(3-chloro-4-fluoro-phenylamino)-5,7-dihydro-pyrrolo (2,3-d]pyrimidin-6-one4-(3-chloro-4-fluoro-phenylamino)-5,7-dihydro-pyrrolo [2,3-d]pyrimidin-6-oneSCHEMBL150580ZUZMVACUXKYXTJ-UHFFFAOYSA-N4-(3-chloro 4-fluoro-phenylamino)-5,7-dihydro-pyrrolo[2,3-d]pyrimidin-6-one4-(3-chloro-4-fluoro-phenylamino)-5,7-dihydro-pyrrol[2,3-d]pyrimidin-6-one4-(3-chloro-4-fluoro-phenylamino)-5,7-dihydro-pyrrolo[2,3- d]pyrimidin-6-one4-(3-chloro-4-fluoro-phenylamino)-5,7-dihydro-pyrrolo[2,3-d ]pyrimidin-6-one4-(3-chloro-4-fluoro-phenylamino)-5,7-dihydro-pyrrolo[2,3-d]-pyrimidin-6-one4-(3-chloro-4-fluoro-phenylamino)-5,7-dihydro-pyrrolo[2,3-d]pyrimidin-6-one
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