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2-tert-butyl-4-chloro-7H-pyrrolo[2,3-d]pyrimidine

2-tert-butyl-4-chloro-7H-pyrrolo[2,3-d]pyrimidine

CAS: 1379340-25-6

Formula: C10H12ClN3

SMILES: CC(C)(C)C1=NC(Cl)=C2C=CNC2=N1

IUPAC: 2-tert-butyl-4-chloro-7H-pyrrolo[2,3-d]pyrimidine

InChI: InChI=1S/C10H12ClN3/c1-10(2,3)9-13-7(11)6-4-5-12-8(6)14-9/h4-5H,1-3H3,(H,12,13,14)

Composition: C (57.28%), H (5.77%), Cl (16.91%), N (20.04%)

Molar Mass: 209.68

Atom Count: 26

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 209.0719751
Formal Charge 0
FSP3 0.4
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey OZTDRUMVTMLRFV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.95
Topological Polar Surface Area 41.57
Polarizability 22.31
Ring Count 2
Rotatable Bond Count 1

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