CAS 56-06-4 manufacturers and suppliers on PharmaCompass

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Also known as:
Molecular Formula
C4H6N4O
Molecular Weight
126.12  g/mol
InChI Key
SWELIMKTDYHAOY-UHFFFAOYSA-N

CAS 56-06-4
1 2D Structure

CAS 56-06-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2,6-diamino-1H-pyrimidin-4-one
2.1.2 InChI
InChI=1S/C4H6N4O/c5-2-1-3(9)8-4(6)7-2/h1H,(H5,5,6,7,8,9)
2.1.3 InChI Key
SWELIMKTDYHAOY-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=C(NC(=NC1=O)N)N
2.1.5 Isomeric SMILES
C1=C(NC(=NC1=O)N)N
2.2 Create Date
2005-03-25
3 Chemical and Physical Properties
Molecular Weight 126.12 g/mol
Molecular Formula C4H6N4O
XLogP3-1.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass126.05416083 g/mol
Monoisotopic Mass126.05416083 g/mol
Topological Polar Surface Area93.5 A^2
Heavy Atom Count9
Formal Charge0
Complexity205
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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