CID 44776578
PubChem CID
44776578
Structure
Molecular Formula
Status
Non-live
Molecular Weight
297.35 g/mol
Dates
- Create:2010-03-14
Chemical Structure Depiction
4-amino-2-[benzyl(4-hydroxybutyl)amino]pyrimidine-5-carbonitrile
InChI=1S/C16H19N5O/c17-10-14-11-19-16(20-15(14)18)21(8-4-5-9-22)12-13-6-2-1-3-7-13/h1-3,6-7,11,22H,4-5,8-9,12H2,(H2,18,19,20)
KFMOMPMXMLJOPZ-UHFFFAOYSA-N
C1=CC=C(C=C1)CN(CCCCO)C2=NC=C(C(=N2)N)C#N
C16H19N5O
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
297.35 g/mol
Property Name
XLogP3-AA
Property Value
2.1
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
7
Property Name
Exact Mass
Property Value
297.15896025 g/mol
Property Name
Monoisotopic Mass
Property Value
297.15896025 g/mol
Property Name
Topological Polar Surface Area
Property Value
99.1 A^2
Property Name
Heavy Atom Count
Property Value
22
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
363
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