AG00DHZ6

52601-89-5 | 5-Pyrimidinol, 4-amino- (7CI,9CI)

AG00DHZ6

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CAS Number	52601-89-5
Catalog Number	AG00DHZ6(AGN-PC-001U0P)
Chemical Name	5-Pyrimidinol, 4-amino- (7CI,9CI)
IUPAC Name	4-aminopyrimidin-5-ol
InChI	InChI=1S/C4H5N3O/c5-4-3(8)1-6-2-7-4/h1-2,8H,(H2,5,6,7)
InChI Key	QPISWILGPJGWLV-UHFFFAOYSA-N
MDL Number	MFCD18642504
Molecular Formula	C4H5N3O
Molecular Weight	111.1020
SMILES	NC1=C(O)C=NC=N1
Synonyms	4-Aminopyrimidin-5-ol, 52601-89-5, 5-Pyrimidinol, 4-amino-, 4-Amino-5-hydroxypyrimidine, 5-hydroxy-6-aminopyrimidine, SCHEMBL4985778, CTK8C1650, DTXSID60561743, QPISWILGPJGWLV-UHFFFAOYSA-N, 7434AB, ANW-67023, MFCD18642504, ZINC13517865, AKOS006370231, AJ-64028, AK-90063, DS-16785, TC-155768, 5-Pyrimidinol,4-amino-, C4H5N3O, 5-Pyrimidinol, 4-amino- (7CI,9CI),

Complexity	77.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	111.043g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	111.104g/mol
Monoisotopic Mass	111.043g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	72A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H312-H332
Packing Group	\N
Precautionary statements	P280
UN Code	\N

Certificate of Analysis

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