5H,6H,7H-pyrrolo[3,4-d]pyrimidine dihydrochloride

5H,6H,7H-pyrrolo[3,4-d]pyrimidine dihydrochloride

CAS: 157327-51-0

Formula: C6H9Cl2N3

SMILES: Cl.Cl.C1NCC2=NC=NC=C12

IUPAC: 5H,6H,7H-pyrrolo[3,4-d]pyrimidine dihydrochloride

InChI: InChI=1S/C6H7N3.2ClH/c1-5-2-8-4-9-6(5)3-7-1;;/h2,4,7H,1,3H2;2*1H

Composition: C (37.14%), H (4.67%), Cl (36.54%), N (21.65%)

Molar Mass: 194.06

Atom Count: 20

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	193.0173527
Formal Charge	0
FSP3	0.33
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	VGQSNQPVXPPLEH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	34
Topological Polar Surface Area	37.81
Polarizability	13.01
Ring Count	2
Rotatable Bond Count	0

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Life Chemicals USA, Inc.

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