4-amino-6-chloropyrimidine-5-carbonitrile

4-amino-6-chloropyrimidine-5-carbonitrile

CAS: 60025-09-4

Formula: C5H3ClN4

SMILES: NC1=C(C#N)C(Cl)=NC=N1

IUPAC: 4-amino-6-chloropyrimidine-5-carbonitrile

InChI: InChI=1S/C5H3ClN4/c6-4-3(1-7)5(8)10-2-9-4/h2H,(H2,8,9,10)

Composition: C (38.86%), H (1.96%), Cl (22.94%), N (36.25%)

Molar Mass: 154.56

Atom Count: 13

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	154.0046238
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	MAVMFCKRFRCMLE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.32
Topological Polar Surface Area	75.59
Polarizability	13.57
Ring Count	1
Rotatable Bond Count	0

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