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2-methoxy-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine hydrochloride

2-methoxy-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine hydrochloride

CAS: 1820619-84-8

Formula: C8H12ClN3O

SMILES: Cl.COC1=NC=C2CNCCC2=N1

IUPAC: 2-methoxy-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine hydrochloride

InChI: InChI=1S/C8H11N3O.ClH/c1-12-8-10-5-6-4-9-3-2-7(6)11-8;/h5,9H,2-4H2,1H3;1H

Composition: C (47.65%), H (6.00%), Cl (17.58%), N (20.84%), O (7.93%)

Molar Mass: 201.65

Atom Count: 25

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 201.0668897
Formal Charge 0
FSP3 0.5
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey PFXHQXOTSWAVNC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.11
Topological Polar Surface Area 47.04
Polarizability 17.31
Ring Count 2
Rotatable Bond Count 1

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