Compound Summary for: CID 5274263

Molecular Formula: C4H5N3O   Molecular Weight: 111.102   InChIKey: OPTASPLRGRRNAP-UHFFFAOYSA-N
Compound Information
CID 5274263
Create Date: 2005-06-24
Deprecated compound

No substance information
Properties and Descriptors
Properties
Molecular Weight 111.102 [g/mol]
Molecular FormulaC4H5N3O
XLogP3-AA-0.2
H-Bond Donor2
H-Bond Acceptor4
Rotatable Bond Count0
Exact Mass111.043262
MonoIsotopic Mass111.043262
Topological Polar Surface Area72
Heavy Atom Count8
Formal Charge0
Complexity77.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Feature 3D Donor Count1
Feature 3D Cation Count2
Feature 3D Ring Count1
Effective Rotor Count0
Conformer Sampling RMSD0.4
CID Conformer Count1
Descriptors
IUPAC Name4-aminopyrimidin-2-ol
InChIInChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)
InChIKeyOPTASPLRGRRNAP-UHFFFAOYSA-N
Canonical SMILESC1=CN=C(N=C1N)O
Isomeric SMILESC1=CN=C(N=C1N)O