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4-chloro-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one

4-chloro-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one

CAS: 1226804-02-9

Formula: C8H8ClN3O

SMILES: CC1(C)C(=O)NC2=NC=NC(Cl)=C12

IUPAC: 4-chloro-5,5-dimethyl-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-6-one

InChI: InChI=1S/C8H8ClN3O/c1-8(2)4-5(9)10-3-11-6(4)12-7(8)13/h3H,1-2H3,(H,10,11,12,13)

Composition: C (48.62%), H (4.08%), Cl (17.94%), N (21.26%), O (8.10%)

Molar Mass: 197.62

Atom Count: 21

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 197.0355896
Formal Charge 0
FSP3 0.37
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey KYBINFJRIXEZGI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.5
Topological Polar Surface Area 54.88
Polarizability 18.4
Ring Count 2
Rotatable Bond Count 0

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