6-chloro-2-(methylsulfanyl)-N-propylpyrimidin-4-amine

6-chloro-2-(methylsulfanyl)-N-propylpyrimidin-4-amine

CAS: 261765-64-4

Formula: C8H12ClN3S

SMILES: CCCNC1=CC(Cl)=NC(SC)=N1

IUPAC: 6-chloro-2-(methylsulfanyl)-N-propylpyrimidin-4-amine

InChI: InChI=1S/C8H12ClN3S/c1-3-4-10-7-5-6(9)11-8(12-7)13-2/h5H,3-4H2,1-2H3,(H,10,11,12)

Composition: C (44.13%), H (5.56%), Cl (16.28%), N (19.30%), S (14.73%)

Molar Mass: 217.72

Atom Count: 25

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	217.0440463
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	HAKZYDKVDFZKHU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.07
Topological Polar Surface Area	37.81
Polarizability	22.07
Ring Count	1
Rotatable Bond Count	4

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