4-amino-2-(methylsulfanyl)pyrimidine-5-carbonitrile

4-amino-2-(methylsulfanyl)pyrimidine-5-carbonitrile

CAS: 770-30-9

Formula: C6H6N4S

SMILES: CSC1=NC=C(C#N)C(N)=N1

IUPAC: 4-amino-2-(methylsulfanyl)pyrimidine-5-carbonitrile

InChI: InChI=1S/C6H6N4S/c1-11-6-9-3-4(2-7)5(8)10-6/h3H,1H3,(H2,8,9,10)

Composition: C (43.36%), H (3.64%), N (33.71%), S (19.29%)

Molar Mass: 166.2

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	166.031317383
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	VYDHBDPZNLVELI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.16
Topological Polar Surface Area	75.59
Polarizability	16.45
Ring Count	1
Rotatable Bond Count	1

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