2-amino-4-chloro-6-methylpyrimidine-5-carbonitrile

2-amino-4-chloro-6-methylpyrimidine-5-carbonitrile

CAS: 99586-66-0

Formula: C6H5ClN4

SMILES: CC1=C(C#N)C(Cl)=NC(N)=N1

IUPAC: 2-amino-4-chloro-6-methylpyrimidine-5-carbonitrile

InChI: InChI=1S/C6H5ClN4/c1-3-4(2-8)5(7)11-6(9)10-3/h1H3,(H2,9,10,11)

Composition: C (42.75%), H (2.99%), Cl (21.03%), N (33.23%)

Molar Mass: 168.58

Atom Count: 16

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	168.0202739
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	BUGYLQNXUJUMKZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.55
Topological Polar Surface Area	75.59
Polarizability	15.32
Ring Count	1
Rotatable Bond Count	0

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