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methyl 7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate

methyl 7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate

CAS: 1234615-76-9

Formula: C8H7N3O2

SMILES: COC(=O)C1=CNC2=NC=NC=C12

IUPAC: methyl 7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate

InChI: InChI=1S/C8H7N3O2/c1-13-8(12)6-3-10-7-5(6)2-9-4-11-7/h2-4H,1H3,(H,9,10,11)

Composition: C (54.24%), H (3.98%), N (23.72%), O (18.06%)

Molar Mass: 177.163

Atom Count: 20

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 177.053826477
Formal Charge 0
FSP3 0.12
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey FEHWBWCQKKRFGX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.79
Topological Polar Surface Area 67.87
Polarizability 17.54
Ring Count 2
Rotatable Bond Count 2

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