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N-benzyl-2-(methylsulfanyl)pyrimidin-4-amine

N-benzyl-2-(methylsulfanyl)pyrimidin-4-amine

CAS: 91719-61-8

Formula: C12H13N3S

SMILES: CSC1=NC(NCC2=CC=CC=C2)=CC=N1

IUPAC: N-benzyl-2-(methylsulfanyl)pyrimidin-4-amine

InChI: InChI=1S/C12H13N3S/c1-16-12-13-8-7-11(15-12)14-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,13,14,15)

Composition: C (62.31%), H (5.66%), N (18.17%), S (13.86%)

Molar Mass: 231.32

Atom Count: 29

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 231.083018605
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey XKXIAFTYXCCCQG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.55
Topological Polar Surface Area 37.81
Polarizability 26.03
Ring Count 2
Rotatable Bond Count 4

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