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4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

CAS: 322691-38-3

Formula: C9H14ClN5

SMILES: CN1CCN(CC1)C1=CC(Cl)=NC(N)=N1

IUPAC: 4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

InChI: InChI=1S/C9H14ClN5/c1-14-2-4-15(5-3-14)8-6-7(10)12-9(11)13-8/h6H,2-5H2,1H3,(H2,11,12,13)

Composition: C (47.48%), H (6.20%), Cl (15.57%), N (30.76%)

Molar Mass: 227.7

Atom Count: 29

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 227.0937732
Formal Charge 0
FSP3 0.56
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey NIQPQNNFLHVTLK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.03
Topological Polar Surface Area 58.28
Polarizability 22.79
Ring Count 2
Rotatable Bond Count 1

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