CID 28470231
PubChem CID
28470231
Structure
Molecular Formula
Status
Non-live
Molecular Weight
238.70 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
4-chloro-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine-5-carbonitrile
InChI=1S/C10H12ClN5/c1-15-2-4-16(5-3-15)10-8(6-12)9(11)13-7-14-10/h7H,2-5H2,1H3/p+1
BGGLINRACIOMHJ-UHFFFAOYSA-O
C[NH+]1CCN(CC1)C2=C(C(=NC=N2)Cl)C#N
C10H13ClN5+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
238.70 g/mol
Property Name
XLogP3-AA
Property Value
1.2
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
1
Property Name
Exact Mass
Property Value
238.0859481 g/mol
Property Name
Monoisotopic Mass
Property Value
238.0859481 g/mol
Property Name
Topological Polar Surface Area
Property Value
57.3 A^2
Property Name
Heavy Atom Count
Property Value
16
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
280
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS